blc-org/A-secret-data-repo huggingface dataset:
Task: molecular description generation
molecule: CC(C)CC1CC(C)(c2csc(NNC(=O)c3ccccc3)n2)OC1=O
Answer: The molecule is a member of benzoic acids.
Task: molecular description generation
molecule: CC(C)=CCc1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C(=O)C(C)C(C)O2
Answer: The molecule is a natural product found in Calophyllum brasiliense with data available.
Task: molecular description generation
molecule: O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
Answer: The molecule is a C-glycosyl compound that is isoscutellarein attached to a beta-D-glucopyranosyl moiety at position 6 via a C-glycosidic linkage. Isolated from the rhizomes of Iris pseudopumila, it exhibits antioxidant activity. It has a role as a metabolite and an antioxidant. It is a tetrahydroxyflavone and a C-glycosyl compound. It is functionally related to an isoscutellarein.
Task: molecular description generation
molecule: CC1CN(C(C)CO)C(=O)c2cc(-c3ccc(C#N)cc3)cnc2OC1CN(C)C(=O)c1cccnc1
Answer: The molecule is a phenylpyridine.
Task: molecular description generation
molecule: CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2.O=C(O)C=CC(=O)O
Answer: The molecule is the maleate salt form of milciclib, an orally bioavailable inhibitor of cyclin-dependent kinases (CDKs) and tropomyosin receptor kinase A (TRKA), with potential antineoplastic activity. CDK2/TRKA inhibitor PHA-848125 AC potently inhibits cyclin-dependent kinase 2 (CDK2) and exhibits activity against other CDKs including CDK1 and CDK4, in addition to TRKA. Inhibition of these kinases may result in cell cycle arrest and apoptosis of tumor cells that express these kinases. CDKs are serine/threonine kinases involved in regulation of the cell cycle and may be overexpressed in some cancer cell types. The neurotrophin receptor TRKA is mutated in a variety of cancer cell types.
Task: molecular description generation
molecule: C=CC(C)(C)C12C=C(O)C(=O)N3C(=Cc4cnc[nH]4)C(=O)NC31N(OC)c1ccccc12
Answer: The molecule is a natural product found in Penicillium oxalicum with data available.
Task: molecular description generation
molecule: CSc1nc2nc3c(cn2n1)C(=O)CC(c1ccccc1)C3
Answer: The molecule is a member of quinazolines.
Task: molecular description generation
molecule: CC(=O)NC(CO)C(OC1OC(COC2OC(CO)C(O)C(O)C2NC(C)=O)C(O)C(O)C1O)C(O)C(O)COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1NC(C)=O
Answer: The molecule is a N-acyl-hexosamine.
Task: molecular description generation
molecule: CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C6O)C(C)(C)C5CCC24C)C3C1(C)O
Answer: The molecule is a natural product found in Bacopa monnieri with data available.
Task: molecular description generation
molecule: CC1CCC2C(=O)NC(C)(CO)C(=O)OCC(=O)N3N=CC(O)C(O)C3C(=O)NC(C)C(=O)N3NCC(Cl)CC3C(=O)N2N1
Answer: The molecule is a natural product found in Streptomyces with data available.
Task: molecular description generation
molecule: CCC(O)C1CC(O)C(O)C=CC=CC(=O)O1
Answer: The molecule is a natural product found in Phomopsis with data available.
Task: molecular description generation
molecule: CCCCCCCCCCCCCCCC[N+](C)(C)C
Answer: The molecule is a quaternary ammonium ion in which the substituents on nitrogen are one hexadecyl and three methyl groups.
Task: molecular description generation
molecule: CC1CN(C(C)CO)C(=O)CCCn2cc(nn2)COC1CN(C)Cc1cccc(C(F)(F)F)c1
Answer: The molecule is a lactam and an azamacrocycle.
Task: molecular description generation
molecule: CC(O)(CC(=O)O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
Answer: The molecule is a natural product found in Arabidopsis thaliana and Homo sapiens with data available.
Task: molecular description generation
molecule: CCC(C(N)=O)N1CCCC1=O
Answer: The molecule is under investigation in clinical trial NCT01137110 (Comparison of Short Duration Levetiracetam to Extended Course for Seizure Prophylaxis After Subarachnoid Hemorrhage (SAH)).
Task: molecular description generation
molecule: CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.Cl
Answer: The molecule is a diarylmethane.
Task: molecular description generation
molecule: C=C1CC(OC(C)=O)C(=O)C(C)(C)C=CC(C)C(=O)C2(OC(C)=O)CC(C)C(OC(=O)c3ccccc3)C2(O)C1OC(C)=O
Answer: The molecule is a natural product found in Euphorbia hirsuta with data available.
Task: molecular description generation
molecule: CC(C)(O)C1Cc2cc(C3COc4c(c(O)cc(O)c4C4OC(CO)C(O)C(O)C4O)C3=O)c(O)cc2O1
Answer: The molecule is a glycoside and a lignan.
Task: molecular description generation
molecule: Cc1c(O)cc2c(c1O)C(=O)OC(C)C2C
Answer: The molecule is a natural product found in Penicillium citrinum with data available.
Task: molecular description generation
molecule: CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[Al+3]
Answer: The molecule is a chemical compound of aluminum.  Aluminum is the most abundant metal in the earth's crust and is always found combined with other elements such as oxygen, silicon, and fluorine.  (L739, L740)
Task: molecular description generation
molecule: CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O
Answer: The molecule is a triterpenoid saponin. It has a role as a metabolite.
Task: molecular description generation
molecule: C=C(C)C1CC(OC(C)=O)C2(C)C(O)C=C(C)CCC3OC3(C)CC(OC(C)=O)C12
Answer: The molecule is a natural product found in Plicanthus hirtellus with data available.
Task: molecular description generation
molecule: CCCCCCc1ccc(O)cc1O
Answer: The molecule is a substituted phenol with bactericidal, antihelminthic and potential antineoplastic activities. Hexylresorcinol is used as an antiseptic in mouthwashes and skin wound cleansers. Hexylresorcinol may also inhibit oxidative DNA damage by enhancing the activity of antioxidant enzymes, including glutathione peroxidase and glutathione reductase, which facilitate scavenging reactive oxygen molecules by glutathione (GSH).
Task: molecular description generation
molecule: C=C1C(=O)OC2CC(C)=CCC(=O)C(C)(OC(C)=O)CC(OC(=O)C(C)=CC)C12
Answer: The molecule is a natural product found in Piptocoma antillana with data available.
Task: molecular description generation
molecule: CCCCC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-]
Answer: The molecule is a medium chain fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxyhexanoyl-CoA; major species at pH 7.3. It is a conjugate base of a 2-hydroxyhexanoyl-CoA.
Task: molecular description generation
molecule: CCCCCCCc1nc2ccccc2s1
Answer: The molecule is a member of benzothiazoles.
Task: molecular description generation
molecule: CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)O
Answer: The molecule is an organooxygen compound. It is functionally related to a tetracarboxylic acid.
Task: molecular description generation
molecule: CC1NC(=O)c2cc(O)c(OC(C3=CC(O)C(C)OC3=O)C(C)O)cc2-n2c1nc1ccccc1c2=O
Answer: The molecule is a natural product found in Aspergillus ochraceus with data available.
Task: molecular description generation
molecule: C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C12
Answer: The molecule is a triterpenoid. It has a role as an anticoronaviral agent.
Task: molecular description generation
molecule: CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
Answer: The molecule is the citrate salt of fentanyl, a synthetic opioid related to the phenylpiperidines with analgesic and anesthetic properties. Fentanyl exerts its analgesic effect by selectively binding to the mu-opioid receptor in the central nervous system (CNS), thereby mimicking the effects of endogenous opiates. Additional pharmacological effects of fentanyl include anxiolysis, euphoria, feelings of relaxation, respiratory depression, constipation, miosis, and cough suppression.
Task: molecular description generation
molecule: CCCCCC=CC=CCCC=CCC=CCCCC(=O)O
Answer: The molecule is any icosatetraenoic acid with the double bonds at positions 5, 8, 12 and 14.
Task: molecular description generation
molecule: CC(O)CC1CCC23C(=O)CC4CC(C)CC(O)C42CCCN13
Answer: The molecule is a natural product found in Phlegmariurus varius and Phlegmariurus phlegmaria with data available.
Task: molecular description generation
molecule: CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
Answer: The molecule is a menaquinone whose side-chain contains 8 isoprene units in an all-trans-configuration. It has a role as an Escherichia coli metabolite and a human metabolite.
Task: molecular description generation
molecule: C=C(C)C(COC(C)=O)c1c(OC)ccc2ccc(=O)oc12
Answer: The molecule is a natural product found in Aglaia odorata, Murraya exotica, and other organisms with data available.
Task: molecular description generation
molecule: COC(=O)CC1C2(C)CC3(OC(=O)C(C)C)C(O)(C(=O)C4=C5CC(=O)OC(c6ccoc6)C5(C)CCC4C13C)C2OC(C)=O
Answer: The molecule is a natural product found in Xylocarpus moluccensis with data available.
Task: molecular description generation
molecule: CC=C1C2=CCCN3C(=O)OC(C1OC1OCC(O)C(O)C1O)C23
Answer: The molecule is a natural product found in Streptomyces with data available.
Task: molecular description generation
molecule: CNc1nc(NC)c(N(C)C=O)c(OC)n1
Answer: The molecule is a natural product found in Heterostemma brownii with data available.
Task: molecular description generation
molecule: O=C1OCC(Cc2ccc3c(c2)OCO3)C1Cc1ccc2c(c1)OCO2
Answer: The molecule is a natural product found in Piper nigrum, Chamaecyparis obtusa, and other organisms with data available.
Task: molecular description generation
molecule: O=C(O)CCCCCCCCCCC(O)CC(=O)O
Answer: The molecule is a natural product found in Bos taurus with data available.
Task: molecular description generation
molecule: Cc1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)nn1C
Answer: The molecule is a member of benzothiazoles.
Task: molecular description generation
molecule: COC(=O)c1c(OC)ccc2oc3cc(CO)cc(O)c3c(=O)c12
Answer: The molecule is a natural product found in Parengyodontium album with data available.
Task: molecular description generation
molecule: COc1ccc(-c2cnc3c(c2)C(=O)N(C(C)CO)CC(C)C(CN(C)C(=O)Cc2cccnc2)O3)cc1
Answer: The molecule is a phenylpyridine.
Task: molecular description generation
molecule: CC(C)=CCC1OC(=O)C2C3CCC4C5(C)CCC(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)OC12C
Answer: The molecule is a natural product found in Colubrina elliptica with data available.
Task: molecular description generation
molecule: CC1=CC=CC(C)C(C(C)CCCC=CCCCN=C(N)N)OC(=O)C=CC=CC(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(OC(=O)CC(=O)O)CC(O)CC(O)CC1O)CC(O)C2O
Answer: The molecule is a natural product found in Streptomyces olivaceus with data available.
Task: molecular description generation
molecule: Cc1ccc(OCc2cn3cccnc3n2)cc1
Answer: The molecule is an imidazopyrimidine.
Task: molecular description generation
molecule: COc1cc2c(c(OC)c1CC=C(C)C)C=C(c1ccc(O)cc1O)CO2
Answer: The molecule is a natural product found in Glycyrrhiza uralensis with data available.
Task: molecular description generation
molecule: N=C(N)N(O)CCCC(N)C(=O)NC(C(=O)O)C1OC(n2cnc3cnc(N)nc32)C2OCC(O)C2(O)C1O
Answer: The molecule is a natural product found in Streptomyces miharaensis with data available.
Task: molecular description generation
molecule: COC(C)(CCCC(C)C)c1ccc(Cc2c(C)cc(Oc3cc(C)cc(O)c3)cc2O)cc1O
Answer: The molecule is a natural product found in Penicillium expansum with data available.
Task: molecular description generation
molecule: O=C=C=C=O
Answer: The molecule is a carbon oxide and a member of allenes.
Task: molecular description generation
molecule: OCC1OC(OCC2OC(O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O
Answer: The molecule is an oligosaccharide.
Task: molecular description generation
molecule: CC(=O)CC(C)CO
Answer: The molecule is a ketone.
Task: molecular description generation
molecule: CC(C)CCc1cc(O)cc2c1C(=O)c1c(O)ccc(O)c1C2=O
Answer: The molecule is a natural product found in Streptomyces with data available.
Task: molecular description generation
molecule: CC(=CCCC(C)=CCCC(=CCCC(C)=CC(=O)O)C(=O)O)CO
Answer: The molecule is a natural product found in Eremophila exilifolia with data available.
Task: molecular description generation
molecule: C=CC(C)=CC=CC(C)C=CC=C(C)C
Answer: The molecule is a natural product found in Plexaurella grisea with data available.
Task: molecular description generation
molecule: CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
Answer: The molecule is a phosphatidylcholine 28:1 in which the acyl groups specified at positions 1 and 2 are decanoyl and (9Z-octadecenoyl respectively. It is a phosphatidylcholine 28:1 and a decanoate ester. It is functionally related to an oleic acid.
Task: molecular description generation
molecule: O=C(O)c1ccc(O)cc1COC1OC(CO)C(O)C(O)C1O
Answer: The molecule is a natural product found in Dipsacus laciniatus with data available.
Task: molecular description generation
molecule: CC(=O)CCC1=CCC2C(CC1C)OC(=O)C2C
Answer: The molecule is a natural product found in Dittrichia graveolens, Arnica amplexicaulis, and other organisms with data available.
Task: molecular description generation
molecule: CC1(C)CCC2(C)CCC3(C)C(=CC=C4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1
Answer: The molecule is a natural product found in Vellozia compacta with data available.
Task: molecular description generation
molecule: CC(=O)OCC1(C)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(OC(C)=O)C(C)(C)C1CC4=O
Answer: The molecule is a natural product found in Trichosanthes dioica and Cucurbita moschata with data available.
Task: molecular description generation
molecule: OCC1OC(OCC2OC(O)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C4O)C3O)C2O)C(O)C(O)C1O
Answer: The molecule is an oligosaccharide.
Task: molecular description generation
molecule: CC(O)C(NC(=O)C(N)CC(=O)O)C(=O)N1CCCC1C(=O)O
Answer: The molecule is a peptide.
Task: molecular description generation
molecule: C=CC1(C)CCC2C(C)(CCC3C(C)(C)C(O)CCC23C)O1
Answer: The molecule is a natural product found in Sideritis canariensis with data available.
Task: molecular description generation
molecule: CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(=O)C2O)C2CCC(CO)C12
Answer: The molecule is a natural product found in Penstemon procerus with data available.
Task: molecular description generation
molecule: CCCC(=O)c1c(O)cc(OC)c(C)c1O
Answer: The molecule is a natural product found in Dryopteris austriaca, Leucosidea sericea, and other organisms with data available.
Task: molecular description generation
molecule: C=C(C)C1CC=C(C)C(OC(C)=O)C1
Answer: The molecule is a natural product found in Citrus, Mentha pulegium, and other organisms with data available.
Task: molecular description generation
molecule: CCC(C)C(NC(=O)C(N)C(C)C)C(=O)NC(CS)C(=O)O
Answer: The molecule is a peptide.
Task: molecular description generation
molecule: C[Se+](CCC([NH3+])C(=O)[O-])CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
Answer: The molecule is an organic cation that is the zwitterionic tautomer of L-adenosylselenomethionine arising from shift of the proton from the carboxy group to the amino group; major species at pH 7.3. It is a tautomer of a L-adenosylselenomethionine.
Task: molecular description generation
molecule: CC(C)CC1NC(=O)C2CCCN2C(=O)CNC(=O)C(Cc2ccccc2)NC(=O)C(CO)NC(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)C(C)NC1=O
Answer: The molecule is a natural product found in Stellaria palustris with data available.
Task: molecular description generation
molecule: CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6NC(C)=O)C5OC5OC(C)C(O)C(O)C5O)C(O)C4NC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(OC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C5O)C(O)C4NC(C)=O)C3O)C(O)C2NC(C)=O)C1O
Answer: The molecule is a member of carbohydrates and carbohydrate derivatives.
Task: molecular description generation
molecule: NCCCC(N)C(=O)OC(=O)C(N)CCCN=C(N)N
Answer: The molecule is an organooxygen compound and an organonitrogen compound. It is functionally related to an alpha-amino acid.
Task: molecular description generation
molecule: CCCc1ccc(C[N+]#N)cc1
Answer: The molecule is a natural product found in Streptomyces with data available.
Task: molecular description generation
molecule: COC1OC(=O)CC1C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C
Answer: The molecule is a natural product found in Aphanamixis grandifolia and Aphanamixis polystachya with data available.
Task: molecular description generation
molecule: COC1=C(OC)C23CCc4cc(O)c(OC)cc4C2(CCN3C)CC1=O
Answer: The molecule is a natural product found in Stephania longa with data available.
Task: molecular description generation
molecule: CCOP(=O)(OCC)SCC[N+](C)(C)C
Answer: A potent, long-acting irreversible cholinesterase inhibitor used as an ocular hypertensive in the treatment of glaucoma. Occasionally used for accomodative esotropia.
Task: molecular description generation
molecule: O=c1ccc2ccc(O)c(OC3OC(CO)C(O)C(O)C3O)c2o1
Answer: The molecule is a natural product found in Daphne oleoides, Daphne feddei, and Daphne tangutica with data available.
Task: molecular description generation
molecule: CC1=CC(c2c(O)cc(C=Cc3ccc(O)cc3O)cc2O)C(C(=O)c2ccc(O)cc2O)C(c2ccc(O)cc2O)C1
Answer: The molecule is a diarylheptanoid.
Task: molecular description generation
molecule: COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1
Answer: The molecule has been used in trials studying the treatment of Cancer, Breast Cancer, Carcinoma, Renal Cell, Recurrent Breast Cancer, and Neoplasms, Head and Neck, among others. Foretinib is an orally available small molecule compound designed to target multiple RTKs implicated in the development, progression and spread of cancer. It inhibits the activation of MET, RON, ERK and AKT, decreased proliferation and increased apoptosis.
Task: molecular description generation
molecule: CCC(N)C(=O)N(CC(=O)O)C(=O)CCC(N)C(=O)O
Answer: The molecule is a peptide.
Task: molecular description generation
molecule: CC(C)=CC1OC(COC2OC(CO)C(O)C(O)C2O)C2C(=O)OC12
Answer: The molecule is a natural product found in Aruncus dioicus var. kamtschaticus and Aruncus dioicus with data available.
Task: molecular description generation
molecule: CC1(C)CCC2(O)C(=O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Answer: The molecule is a natural product found in Camellia japonica and Camellia amplexicaulis with data available.
Task: molecular description generation
molecule: CC1=CC(=O)CC1(C)C
Answer: The molecule is a natural product found in Nicotiana tabacum with data available.
Task: molecular description generation
molecule: CN1CC(COC(=O)C2CCCCC2)C=C2c3cccc4[nH]cc(c34)CC21.O=C([O-])C=CC(=O)[O-].[H+].[H+]
Answer: The molecule is the hydrogenmaleate salt of O-(cyclohexanecarbonyl)lysergol. It contains an O-(cyclohexanecarbonyl)lysergol.
Task: molecular description generation
molecule: CC=C(C)C(=O)OC1CCN2CC=C(COC(=O)C=C(C)C)C12
Answer: The molecule is a natural product found in Senecio macedonicus with data available.
Task: molecular description generation
molecule: CC(C)CC(NC(=O)C(CCC(N)=O)NC(=O)C(N)C(C)C)C(=O)O
Answer: The molecule is a peptide.
Task: molecular description generation
molecule: CC(C)C(CCC(C)C1CCC2C3C(O)CC4CC(NCCCNCCCCNCCCN)CCC4(C)C3CCC12C)OS(=O)(=O)O
Answer: The molecule is a natural product found in Squalus acanthias with data available.
Task: molecular description generation
molecule: CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]c(Br)c(c56)CC4N(C)C3)(C(C)C)C(=O)N12
Answer: The molecule is an oral dopamine receptor agonist used predominantly in the therapy of Parkinson disease, but which has other activities including inhibition of prolactin and growth hormone release which has led to its use in acromegaly, infertility and galactorrhea. Bromocriptine therapy is associated with low rate of transient serum enzyme elevations during treatment and has been implicated in rare cases of acute liver injury.
Task: molecular description generation
molecule: CC(C)C=COc1ccc2ccc(=O)oc2c1C=CC(C)C
Answer: The molecule is a natural product found in Skimmia reevesiana with data available.
Task: molecular description generation
molecule: C=CCC(O)CCC1C(=C)CC(O)C2C(C)(C)CCCC12C
Answer: The molecule is a natural product found in Larix decidua with data available.
Task: molecular description generation
molecule: CC(C)NC(=O)N(C)CC1Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2CC(=O)N(C(C)CO)CC1C
Answer: The molecule is a member of naphthalenes.
Task: molecular description generation
molecule: CC(C)CCC(OC1OCC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
Answer: The molecule is a natural product found in Lepisorus ussuriensis with data available.
Task: molecular description generation
molecule: C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(C)(C)O)CC(O)CC1O
Answer: The molecule is the active form of vitamin D found in the body (vitamin D3). Calcitriol is marketed under various trade names including Rocaltrol (Roche), Calcijex (Abbott) and Decostriol (Mibe, Jesalis). It is produced in the kidneys via 25-hydroxyvitamin D-1 &alpha;-hydroxylase by conversion from 25-hydroxycholecalciferol (calcidiol). This is stimulated by a decrease in serum calcium, phosphate (PO<sub>4</sub><sup>3-</sup>) and parathyroid hormone (PTH) levels. It regulates calcium levels by increasing the absorption of calcium and phosphate from the gastrointestinal tract, increasing calcium and phosphate reabsorption in the kidneys and inhibiting the release of PTH. Calcitriol is also commonly used as a medication in the treatment of hypocalcemia and osteoporosis.
Task: molecular description generation
molecule: C=C(C)C1OC2CCC3(C)C4(C)c5[nH]c6cc(Cl)c7c8c6c5C(OC(C)(C)C5CC(C(=C)C7)C85O)C4CCC3(O)C23OC3C1O
Answer: The molecule is a natural product found in Penicillium janczewskii, Penicillium crustosum, and other organisms with data available.
Task: molecular description generation
molecule: NC(=O)C1C(=O)CC2CC3Cc4cccc(O)c4C(=O)C3C(=O)C2(O)C1=O
Answer: The molecule is a member of tetracyclines.
Task: molecular description generation
molecule: COc1cc(C2CCc3ccc(O)c(C)c3O2)ccc1O
Answer: The molecule is a natural product found in Dracaena draco with data available.
Task: molecular description generation
molecule: O=C(O)C(O)C(O)(CO)CO
Answer: The molecule is a hydroxy fatty acid.
Task: molecular description generation
molecule: CC(=O)CCCCCCCCCCC1CCC(O)C(CO)N1
Answer: The molecule is a natural product found in Senna spectabilis with data available.
Task: molecular description generation
molecule: CC1=C2C(CC3=C(CCC4C(C)(CO)CCCC34C)C2O)OC1=O
Answer: The molecule is a natural product found in Phlogacanthus curviflorus with data available.
Task: molecular description generation
molecule: CCC(C)C(=O)OC1C(OC(C)=O)C(OC(C)=O)C2(COC(C)=O)C(OC(=O)c3ccoc3)CC3C(OC(C)=O)C2(OC3(C)C)C1(C)O
Answer: The molecule is a natural product found in Euonymus nanoides with data available.
Task: molecular description generation
molecule: CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCC(C)C(C)C)CCC32)C1
Answer: The molecule is a steroid ester.
Task: molecular description generation
molecule: COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(CC=O)C1CC(=O)OCCc1ccc(O)cc1
Answer: The molecule is a natural product found in Ligustrum vulgare with data available.
Task: molecular description generation
molecule: O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)ccc12
Answer: The molecule is an acrovestone and an isoflavonoid.
Task: molecular description generation
molecule: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCC=CCC=CCC=CCC
Answer: The molecule is a triacylglycerol 60:14.
Task: molecular description generation
molecule: CC1(C)C=CC=C(C(=O)O)C=C1
Answer: The molecule is a natural product found in Thuja plicata and Calocedrus formosana with data available.
Task: molecular description generation
molecule: CN(C)CCCN1c2ccccc2CCc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)ccc21
Answer: The molecule is a dibenzooxazepine.