anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H]N([H])C(=NC([H])([H])C([H])([H])C([H])([H])C([H])(N([H])C(=O)C(N([H])C(=O)C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C(=O)N([H])C1(C(=O)N([H])C([H])(C2=C([H])C([H])=C(F)C([H])=C2[H])C3=C([H])C([H])=C(F)C([H])=C3[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])N([H])[H] [H]N([H])C(=NC([H])([H])C([H])([H])C([H])([H])C([H])(N([H])C(=O)C(N([H])C(=O)C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C(=O)N([H])C1(C(=O)N([H])C([H])(C2=C([H])C([H])=C(F)C([H])=C2[H])C3=C([H])C([H])=C(F)C([H])=C3[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])N([H])[H] is mM-102 (HMTase Inhibitor IX) is a high-affinity peptidomimetic inhibitor of the WDR5/MLL1 protein-protein interaction. It is also related to or classified as organic molecular entity .
The molecule C1C2(CN1CC3=NC=CS3)[C@H]([C@H](N2CC4=CN=CC=C4)CO)C5=CC=CC=C5 C1C2(CN1CC3=NC=CS3)[C@H]([C@H](N2CC4=CN=CC=C4)CO)C5=CC=CC=C5 is [(2S,3S)-3-phenyl-1-(3-pyridinylmethyl)-6-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]3[C@@H]([C@H](OC([C@@H]3NC(=O)C)O)CO)O)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)O)O)O is a branched amino tetrasaccharide comprising N-acetyl-D-glucosamine at the reducing end with a N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl moiety attached at the 3-position. It has a role as an antigen. It is an amino tetrasaccharide, a galactosamine oligosaccharide and a glucosamine oligosaccharide.
The molecule [H]C12CCC3(C)C(O)C1([H])C(C)(C)CCCC23C [H]C12CCC3(C)C(O)C1([H])C(C)(C)CCCC23C is (-)-longiborneol.  It is also related to or classified as secondary alcohol  . It is also related to or classified as sesquiterpenoid , carbotricyclic compound .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)C(C[C@]34C)O is an androstanoid that is testosterone substituted at C2 by a hydroxy group with undefined stereochemistry. It is an androstanoid, a 17beta-hydroxy steroid, a 3-oxo-Delta(4) steroid, a 2-hydroxy steroid and a secondary alpha-hydroxy ketone. It derives from a testosterone.
The molecule C1=CC(=C(C=C1CC(=O)[O-])[N+](=O)[O-])O is a monocarboxylic acid anion that is the conjugate base of (4-hydroxy-3-nitrophenyl)acetic acid, obtained by deprotonation of the carboxy group. It is a conjugate base of a (4-hydroxy-3-nitrophenyl)acetic acid. It is a conjugate acid of a (3-nitro-4-oxidophenyl)acetate.
The molecule C1[C@@H](C(=O)N1[C@H](C2=CC=C(C=C2)O)C(=O)[O-])NC(=O)[C@@H](C3=CC=C(C=C3)O)[NH3+] is an amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of nocardicin G; major species at pH 7.3. It is a tautomer of a nocardicin G.
The molecule [C@H]12[C@H](C[C@]([C@@H]1/C=C\C/C=C\C/C=C\CCCC([O-])=O)([C@H](CC)O)[H])O2 [C@H]12[C@H](C[C@]([C@@H]1/C=C\C/C=C\C/C=C\CCCC([O-])=O)([C@H](CC)O)[H])O2 is ectocarpin C(1-). It is also related to or classified as epoxy fatty acid anion , hydroxy fatty acid anion , icosanoid anion .
The molecule CC=CC1=CC=C(C=C1)[C@H]2[C@H](N(C23CN(C3)C(=O)COC)CC4CCOCC4)CO CC=CC1=CC=C(C=C1)[C@H]2[C@H](N(C23CN(C3)C(=O)COC)CC4CCOCC4)CO is LSM-40566. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule NCC(=O)N[C@@H](CC(O)=O)C(O)=O NCC(=O)N[C@@H](CC(O)=O)C(O)=O is A dipeptide formed from glycyl and L-aspartic acid residues. It has the role of metabolite . It is a conjugate acid of Gly-Asp(1-) . It is also related to or classified as dipeptide  .
The molecule CC(=O)OCC(C(=O)C1=CC(=C(C=C1)OC)OC)OC(=O)C is an aromatic ketone that is propiophenone substituted by acetoxy groups at positions 1 and 2 and methoxy groups at positions 3' and 4' respectively. It is an aromatic ketone, a dimethoxybenzene and an acetate ester. It derives from a propiophenone.
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO)C)CNC C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO)C)CNC is 4-fluoro-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCC/C=C\\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a phosphatidylethanolamine 35:3 zwitterion in which the acyl groups at positions 1 and 2 are specified as 10Z-heptadecenoyl and linoleoyl respectively. It is a 1-acyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion and a phosphatidylethanolamine 35:3 zwitterion.
The molecule C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O is the 5-phospho derivative of D-ribitol. It derives from a ribitol. It is a conjugate acid of a D-ribitol 5-phosphate(2-).
The molecule C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)O)C)OO4)C is a cholestanoid that is cholest-6-ene substituted by a beta-hydroxy group at position 3 and a peroxy group between positions 5 and 8 (the 5alpha,8alpha stereoisomer). Isolated from the sea urchin Diadema setosum, it exhibits cytotoxicity against variuos cancer cell lines. It has a role as a metabolite and an antineoplastic agent. It is an organic peroxide, a cholestanoid and a 3beta-sterol.
The molecule [C@H]12[C@H](C[C@H]([C@@H]1/C=C\C/C=C\C/C=C\CCCC([O-])=O)/C=C/C)O2 [C@H]12[C@H](C[C@H]([C@@H]1/C=C\C/C=C\C/C=C\CCCC([O-])=O)/C=C/C)O2 is ectocarpin B(1-). It is also related to or classified as epoxy fatty acid anion , icosanoid anion .
The molecule N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(O)=O N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(O)=O is A dipeptide formed from L-tyrosine and glycine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule [C@@]12([C@@]3(C(=C([C@]4(CC3)C(OC(C=C4)=O)(C)C)C)C[C@](C1=C)(C(=O)[C@@](C2=O)(O)C)C)C)C(=O)OC [C@@]12([C@@]3(C(=C([C@]4(CC3)C(OC(C=C4)=O)(C)C)C)C[C@](C1=C)(C(=O)[C@@](C2=O)(O)C)C)C)C(=O)OC is preaustinoid A3. It is also related to or classified as tertiary alcohol  .    It is also related to or classified as carboxylic ester  . It is also related to or classified as terpene lactone , organic heterotetracyclic compound , meroterpenoid .
The molecule C1=C(NC=N1)CC(=O)COP(=O)([O-])[O-] is dianion of 3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate arising from deprotonation of both phosphate OH groups; major species at pH 7.3. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a 3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate.
The molecule CC=CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@H]2CO)C(=O)C4=CC=NC=C4 CC=CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@H]2CO)C(=O)C4=CC=NC=C4 is LSM-40568. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC(C)NC[C@@H](C1=CC(=C(C=C1)O)O)O is an optically active phenylethanolamine compound having an isopropyl substituent attached to the nitrogen atom. It has a role as a sympathomimetic agent and a beta-adrenergic agonist. It is a catecholamine and a member of phenylethanolamines.
The molecule O=C(O)CCC1(OC=2C(=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=CC2CC1)C)C O=C(O)CCC1(OC=2C(=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=CC2CC1)C)C is delta-CEHC glucuronide. Its functional parent is delta-CEHC . It is also related to or classified as lipopolysaccharide  . It is also related to or classified as glucosiduronic acid , 1-benzopyran .
The molecule CC1(C2=C(C=CC(=C2)NC(=O)CI)[N+](=C1/C=C/C=C/C=C/3\\C(C4=C(N3CCS(=O)(=O)[O-])C=CC5=C4C=C(C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])(C)C)C)C.[K+].[K+] is an organic potassium salt, a cyanine dye, an organosulfonate salt, an organoiodine compound, a secondary carboxamide, an organic heterotricyclic compound and a member of indoles. It has a role as a fluorochrome.
The molecule CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O is an N(4)-acetylcytidine 5'-monophosphate that results from the removal of two protons from the phosphate group; major species at pH 7.3.
The molecule [C@H]12[C@H](C[C@H]([C@@H]1/C=C\CCCCCCCC([O-])=O)/C=C/C)O2 [C@H]12[C@H](C[C@H]([C@@H]1/C=C\CCCCCCCC([O-])=O)/C=C/C)O2 is ectocarpin A(1-). It is also related to or classified as octadecanoid anion , epoxy fatty acid anion .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=C(ON=C3C)C C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=C(ON=C3C)C is 1-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCN1C(C(C2=C1C=CC(=C2)S(=O)(=O)O)(C)C)/C=C/C=C/C=C\\3/C(C4=C(N3CCCCCC(=O)NCCNC(=O)CO[C@H]5CC[C@]6([C@@H](C5)CC[C@@H]7[C@@H]6C[C@H]([C@]8([C@@]7(CC[C@@H]8C9=CC(=O)OC9)O)C)O)C)C=CC(=C4)S(=O)(=O)O)(C)C is a cyanine conjugate in which digitoxigenin is connected to Cy5 via a 6-[(2-acetamidoethyl)amino]-6-oxohexyl linker. It has a role as an epitope. It is a cyanine conjugate and a monocarboxylic acid amide. It derives from a digoxigenin and a Cy5 dye.
The molecule CN1CC[C@H]2CC[C@@H]([C@@H](O2)COC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC CN1CC[C@H]2CC[C@@H]([C@@H](O2)COC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC is LSM-40572. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCC(C)C/C(=N/OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O is an alkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a 3-methyl-N-(sulfooxy)pentanimidoyl group at the anomeric sulfur. It is a conjugate acid of a 2-methylbutylglucosinolate.
The molecule [NH3+]CC(=O)N[C@@H](CC([O-])=O)C([O-])=O [NH3+]CC(=O)N[C@@H](CC([O-])=O)C([O-])=O is A peptide anion obtained by deprotonation of the terminal and side-chain carboxy groups and protonation of the terminal amino group of Gly-Asp; major species at pH 7.3. It is also related to or classified as peptide anion .
The molecule C[C@H](C[C@H](C)O)/C=C(\\C)/C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC1=C(NC2=CC=CC=C21)Br)C(=O)N is a depsipeptide isolated from Jaspis splendens. It has a role as an antineoplastic agent, a marine metabolite and an animal metabolite. It is a depsipeptide, a member of indoles and an organobromine compound.
The molecule O=C(O)CCC1(OC=2C(=CC(OS(=O)(=O)O)=CC2CC1)C)C O=C(O)CCC1(OC=2C(=CC(OS(=O)(=O)O)=CC2CC1)C)C is delta-CEHC sulfate. Its functional parent is delta-CEHC . It is also related to or classified as alkyl sulfate , fatty acid derivative .
The molecule C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)O is an aminobenzoic acid that is anthranilic acid with a nitro substituent at position 4. It has a role as a mutagen. It is an aminobenzoic acid and a nitrobenzoic acid. It derives from an anthranilic acid.
The molecule C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O)O is a carboxylic ester compound formed from condensation between retronecine and (2S,3R)-2,3-dihydroxy-2-isopropylbutanoic acid. It is a member of pyrrolizines, an azabicycloalkane and a carboxylic ester.
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](OCCCCCN)O[C@@H]5CO)O[C@@H]4CN=[N+]=[N-])[C@@H]3O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](OCCCCCN)O[C@@H]5CO)O[C@@H]4CN=[N+]=[N-])[C@@H]3O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is an amino hexasaccharide derivative that is alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp6N3-(1->4)-beta-D-Glcp (CHEBI:194350), the reducing-end residue of which is linked glycosidically to a 5-aminopentyl group linker. Its functional parent is alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp6N3-(1->4)-beta-D-Glcp . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as glycoside  . It is also related to or classified as amino hexasaccharide .
The molecule C[C@H]1C[C@@H](C)CC[C@@]12CC(NC(N2)=N)=O C[C@H]1C[C@@H](C)CC[C@@]12CC(NC(N2)=N)=O is an azaspiro compound resulting from the spiro-fusion of 2-imino-1,3-diazinan-4-one at position 6 with 1,3-dimethylcyclohexane. It is a marine metabolite isolated from Vietnamese pufferfish Tetraodon biocellatus and a potential intermediate in the biosynthetic pathway leading to the synthesis of tetrodotoxin. It has the role of animal metabolite . It has the role of marine metabolite . It is also related to or classified as organic heterobicyclic compound , azaspiro compound .
The molecule CC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC=C(C=C3)OC)C)O is a dihydroxyflavanone that is (2S)-flavanone with hydroxy groups at positions 5 and 7, methyl groups at positions 6 and 8 and a methoxy group at position 4'. It has a role as a radical scavenger and a plant metabolite. It is a dihydroxyflavanone, a monomethoxyflavanone and a member of 4'-methoxyflavanones. It derives from a (2S)-flavanone.
The molecule CCS(=O)(=O)N1CC2(C1)[C@H]([C@H](N2CC3=CC=C(C=C3)F)CO)C4=CC=CC=C4 CCS(=O)(=O)N1CC2(C1)[C@H]([C@H](N2CC3=CC=C(C=C3)F)CO)C4=CC=CC=C4 is [(2S,3S)-6-ethylsulfonyl-1-[(4-fluorophenyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCOC(COC(=O)C[C@@H]\\1C(=CO[C@H](/C1=C/C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)C3=CC(=C(C=C3)O)O is a secoiridoid glycoside isolated from Ligustrum lucidum which has been shown to exhibit antioxidant activity against hemolysis of red blood cells induced by free radicals. It has a role as an antioxidant, an antiviral agent and a plant metabolite. It is a monosaccharide derivative, a member of catechols, a beta-D-glucoside, a member of pyrans, a monoterpene glycoside, a methyl ester and a secoiridoid glycoside.
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3 C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3 is 4,4,4-trifluoro-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCC(C)C)O is an N-acyl-1-beta-D-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 19 carbons and 0 double bonds. It derives from a 15-methylhexadecasphing-4-enine.
The molecule OS(=O)(=O)[O-] is a sulfur oxoanion. It is a conjugate base of a sulfuric acid. It is a conjugate acid of a sulfate.
The molecule C1C[C@@]2([C@@](C=3[C@@]1(CCC3C(C)C)C)(C[C@H](C(=C[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)CO)OC(C)=O)[H])C C1C[C@@]2([C@@](C=3[C@@]1(CCC3C(C)C)C)(C[C@H](C(=C[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)CO)OC(C)=O)[H])C is major species at pH 7.3.  It is also related to or classified as diterpene  . It is also related to or classified as organic anion , polycyclic olefin , carbotricyclic compound .
The molecule OC(=O)CC1=C(C=CC=C1)[N+]([O-])=O OC(=O)CC1=C(C=CC=C1)[N+]([O-])=O is A member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl grup is substituted at the ortho- position by a nitro group. Its functional parent is nitrobenzene . Its functional parent is phenylacetic acid . It is also related to or classified as phenylacetic acids , C-nitro compound .
The molecule CC1=NC=C(C(=C1O)CN[C@@H](CCCCNC(=O)C)C(=O)O)COP(=O)(O)O is a N(6)-acyl-L-lysine arising from reductive N-alkylation of N(6)-acetyl-L-lysine by pyridoxal-5-phosphate. It has a role as an epitope and an antigen. It is an organic phosphate and a N(6)-acyl-L-lysine. It derives from a pyridoxal. It is a conjugate acid of a N(6)-acetyl-N(2)-(5'-phosphonatopyridoxyl)-L-lysinate(2-).
The molecule N[C@@H](CCCC[n+]1cc(CC[C@H](N)C(O)=O)c(CCC[C@H](N)C(O)=O)c(CC[C@H](N)C(O)=O)c1)C(O)=O N[C@@H](CCCC[n+]1cc(CC[C@H](N)C(O)=O)c(CCC[C@H](N)C(O)=O)c(CC[C@H](N)C(O)=O)c1)C(O)=O is desmosine. Its functional parent is L-lysine . It is also related to or classified as aromatic amino acid .
The molecule C1C[NH+]2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75 is an indole alkaloid cation obtained by protonation of the tertiary amino group of strychnine. It is a conjugate acid of a strychnine.
The molecule C1N(C1)CCNCCN C1N(C1)CCNCCN is A primary amino compound that is ethane-1,2-diamine in which the hydrogen on one of the amino groups is replaced by a 2-(aziridin-1-yl)ethyl group. It is a angiotensin-converting enzyme 2 (ACE2) inhibitor and a potential therapeutic agent for treating SARS coronavirus infections. It has the role of EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitor . It has the role of anticoronaviral agent . Its functional parent is diethylenetriamine . It is also related to or classified as aziridines , primary amino compound , secondary amino compound .
The molecule CC(=O)OC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C(C=C4)OC(=O)C)OC3=O is a member of the class of coumestans that is the diacetate ester derivative of coumestrol. It is a member of coumestans, a delta-lactone and an acetate ester. It derives from a coumestrol.
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O is an inositol phosphodihydroceramide(1-) in which the N-acyl group is specified as docosanoyl; major species at pH 7.3. It is an inositol phosphodihydroceramide(1-) and an Ins-1-P-Cer-A 40:0(1-). It derives from a N-docosanoylsphinganine.
The molecule C[C@H](CCC(C)(C(=C)C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2[C@H](C[C@@H]5[C@]3(C4)CCC(=O)C5(C)C)O)C)C is a pentacyclic triterpenoid that is 9beta,19-cyclolanost-25-ene substituted by an oxo group at position 3 and hydroxy groups at positions 7 and 24. It has been isolated from the leaves of Combretum quadrangulare. It has a role as a metabolite and a plant metabolite. It is a cyclic terpene ketone, a diol, a pentacyclic triterpenoid and a 3-oxo-5alpha-steroid. It derives from a hydride of a cycloartane.
The molecule C1C[C@@]2([C@@](C=3[C@@]1(CCC3C(C)C)C)(C[C@H](C(=C[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)OC(C)=O)[H])C C1C[C@@]2([C@@](C=3[C@@]1(CCC3C(C)C)C)(C[C@H](C(=C[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)OC(C)=O)[H])C is majoor species at pH 7.3. It is also related to or classified as diterpene  . It is also related to or classified as polycyclic olefin , carbotricyclic compound .
The molecule [C@]1(O[C@@H]([C@H]([C@H]1O)O)CO[P@@](N[C@H](C(OCC(CC)CC)=O)C)(OC=2C=CC=CC2)=O)(C#N)C=3N4N=CN=C(C4=CC3)N [C@]1(O[C@@H]([C@H]([C@H]1O)O)CO[P@@](N[C@H](C(OCC(CC)CC)=O)C)(OC=2C=CC=CC2)=O)(C#N)C=3N4N=CN=C(C4=CC3)N is A carboxylic ester resulting from the formal condensation of the carboxy group of N-[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]-L-alanine with the hydroxy group of 2-ethylbutan-1-ol. A broad-spectrum antiviral prodrug with potent in vitro antiviral activity against a diverse panel of RNA viruses such as Ebola virus, MERS-CoV and SARS-CoV. It is currently in Phase III clinical trials for the treatment of Covid-19 in adults. It has the role of anticoronaviral agent . It has the role of antiviral drug . It has the role of prodrug . Its functional parent is GS-441524 . It is also related to or classified as nitrile  .  It is also related to or classified as carboxylic ester  . It is also related to or classified as phosphoramidate ester , aromatic amine , C-nucleoside , pyrrolotriazine .
The molecule [Mg+2].[H]C1(OC([H])(C(=O)[O-])C([H])(O)C([H])(O)C1([H])O)OC2([H])C([H])(OC([H])(C(=O)[O-])C([H])(O)C2([H])O)OC3([H])CCC4(C)C5([H])C(=O)C=C6C7([H])CC(C(=O)O)(C)CCC7(C)CCC6(C)C5(C)CCC4([H])C3(C)C [Mg+2].[H]C1(OC([H])(C(=O)[O-])C([H])(O)C([H])(O)C1([H])O)OC2([H])C([H])(OC([H])(C(=O)[O-])C([H])(O)C2([H])O)OC3([H])CCC4(C)C5([H])C(=O)C=C6C7([H])CC(C(=O)O)(C)CCC7(C)CCC6(C)C5(C)CCC4([H])C3(C)C is magnesium Isoglycyrrhizinate is the magnesium salt form of the saponin, isoglycyrrhizinate, a derivative of glycyrrhizic acid extracted from the roots of the plant Glycyrrhiza glabra, with potential anti-inflammatory, antioxidant and hepatoprotective activities. Although the exact mechanism of action remains to be fully elucidated, magnesium isoglycyrrhizinate may prevent or reduce hepatotoxicity through the scavenging of free radicals. This agent also modulates the activity of hepatic enzymes such as alanine aminotransferase (ALT), aspartate aminotransferase (AST), superoxide dismutase (SOD) and glutathione peroxidase. It is also related to or classified as organic molecular entity .
The molecule COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C=CC(=C3)O is a monohydroxyflavone a that is flavone substituted by a hydroxy group at position 6 and a methoxy group at position 2'. It is a monomethoxyflavone and a monohydroxyflavone. It derives from a flavone.
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C\\CO)/C)/C)/C)/C)C is a polyprenol in which all linkages of the isoprene units are cis, except for the two furthest from the hydroxy group which are trans.
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@H](C)CO)C)CNC C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@H](C)CO)C)CNC is N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC2=C(C=C1Cl)N=NC3=NN=NN23 is an organic heterotricyclic compound that is tetrazolo[5,1-c][1,2,4]benzotriazine substituted at position 7 by a chloro group. An antifungal and chemosensitising agent that induces oxidative stress in yeast and filamentous fungi and enhances the cytotoxic activity of 5-fluorocytosine and azole antimycotics. It has a role as an antifungal agent. It is an organic heterotricyclic compound and an organochlorine compound.
The molecule COC1=CC=C(C=C1)/C=C/2\\C(=O)N(C(S2(=O)=O)C3=CC=CC=C3)C4=CC=CC=C4 is a member of the class of thiazolidinones that is 1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one bearing an additional (4-methoxyphenyl)methylidene substituent at position 5. It is a thiazolidinone, an aromatic ether, an olefinic compound and a sulfone.
The molecule C1C[C@@]2([C@@](C=3[C@@]1(CCC3C(C)C)C)(C[C@H](C(=CC2=O)CO)OC(C)=O)[H])C C1C[C@@]2([C@@](C=3[C@@]1(CCC3C(C)C)C)(C[C@H](C(=CC2=O)CO)OC(C)=O)[H])C is major species at pH 7.3. It is also related to or classified as diterpene  . It is also related to or classified as polycyclic olefin , carbotricyclic compound .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)N(C[C@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)N(C[C@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C is (4S,7R,8S)-14-[[(4-chloroanilino)-oxomethyl]amino]-N-(3,5-dimethyl-4-isoxazolyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .