JAZL/ChemGist-CHON huggingface dataset:
Compound: carboquone
SMILES: O=C1C(N2CC2)=C(C(=O)C(=C1C(OC)COC(=O)N)N3CC3)C
InChIKey: SHHKQEUPHAENFK-UHFFFAOYSA-N
Synonyms: carboquone, Esquinon, Carbazilquinone, 24279-91-2, Carboquonum, carbocuona, 1CB0HBT12C, DTXSID8046870, 2,5-Bis(1-aziridinyl)-3-(2-hydroxy-1-methoxyethyl)-6-methyl-p-benzoquinone carbamate (ester), DTXCID6026870, 2,5-Cyclohexadiene-1,4-dione, 2-(2-((aminocarbonyl)oxy)-1-methoxyethyl)-3,6-bis(1-aziridinyl)-5-methyl-, Carboquinone, RefChem:388857, L01AC03, 2,5-bis(1-aziridinyl)-3-(2-(carbamoyloxy)-1-methoxyethyl)-6-methyl-p-benzoquinone, NSC662, Carbazilequinone, Carbaziloquinone, MLS002703012, NSC134679, [2-[2,5-bis(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-methoxyethyl] carbamate, Carboquona, Carboquone [INN:JAN], Carboquonum [INN-Latin], Carboquona [INN-Spanish], CCRIS 2748, CS 310, UNII-1CB0HBT12C, NSC 134679, BRN 1400765, NCGC00181140-01, Esquinon (TN), 2, carbamate ester, CARBOQUONE [MI], Carboquone (JAN/INN), CARBOQUONE [INN], CARBOQUONE [JAN], CARBOQUONE [MART.], SCHEMBL8079, 2,5-Bis(1-aziridinyl)-3-(2-carbamoyloxy-1-methoxyethyl)-6-methyl-1,4-benzoquinone, CARBOQUONE [WHO-DD], 2-(2-((Aminocarbonyl)oxy)-1-methoxyethyl)-3,6-bis(1-aziridinyl)-5-methyl-2,5-cyclohexadiene-1,4-dione, 5-20-01-00076 (Beilstein Handbook Reference), p-Benzoquinone, 2,5-bis(1-aziridinyl)-3-(2-hydroxy-1-methoxyethyl)-6-methyl-, carbamate (ester), CHEMBL443014, CHEBI:31356, Tox21_112746, DB13677, NSC-134679, 2-(2,5-di(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-methoxyethyl carbamate, 2-[2,5-bis(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-methoxyethyl carbamate, NCI60_000771, SMR001566820, CAS-24279-91-2, NS00125301, D01270, Q5038065, 2,4-dione, 2,5-bis(1-aziridinyl)-6 (2-hydroxy-1-methoxyethyl)-3-methyl-, carbamate, 2,4-dione, 2-[2-[(aminocarbonyl)oxy]-1-methoxyethyl]-3,6-bis(1-aziridinyl)-5-methyl-, [2-[2,5-bis(aziridin-1-yl)-4-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl]-2-methoxy-ethyl] carbamate, 2,5-Bis(1-aziridinyl)-3-(2-hydroxy-1- methoxyethyl)-6-methyl-1,4-benzoquinone, carbamate (ester), p-Benzoquinone,5-bis(1-aziridinyl)-3-(2-hydroxy-1-methoxyethyl)-6-methyl-, carbamate (ester)
Theoretical properties:
molecular_formula: C15H19N3O5
molecular_weight: 321.33 g/mol
exact_mass: 321.13247072 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 7
heavy_atom_count: 23
topological_polar_surface_area: 102 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Carboquone is an organic molecular entity.
chembl: CARBOQUONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Carboquone is a drug used in chemotherapy.
Compound: Etoglucid
SMILES: O1C(COCCOCCOCCOCC2OC2)C1
InChIKey: UMILHIMHKXVDGH-UHFFFAOYSA-N
Synonyms: Etoglucid, Etoglucide, 1954-28-5, Triethylene glycol diglycidyl ether, Ethoglucide, Etoglucido, Etoglucidum, Diglycidyltriethylene glycol, Ayerst 62013, ICI-32865, ICI 32865, 4F9KUA0T4D, NSC-80439, 1,2-Bis(2-(2,3-epoxypropoxy)ethoxy)ethane, 1,2:15,16-Diepoxy-4,7,10,13-tetraoxahexadecane, 2,2'-(2,5,8,11-Tetraoxadodecane-1,12-diyl)bisoxirane, NSC80439, 2,2'-(2,5,8,11-Tetraoxa-1,12-dodecane diyl)bisoxirane, RefChem:388961, L01AG01, 1,2-Bis(2-(2, 3-epoxypropoxy)ethoxy)ethane, Ethane, 1, 2-bis(2-(2,3-epoxypropoxy)ethoxy)-, 1,2:15,16-Diepoxy-4,7,10, 13-tetraoxahexadecane, 2-(12-(oxiran-2-yl)-2,5,8,11-tetraoxadodecan-1-yl)oxirane, 217-784-7, Ethoglucid, Epodyl, Etoglucid [INN], 2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane, Etoglucid (INN), Etoglucide; ICI 32865; NSC 80439; TDE, 1,12-Di(oxiran-2-yl)-2,5,8,11-tetraoxadodecane, Etoglucide [INN-French], Etoglucidum [INN-Latin], Etoglucido [INN-Spanish], Etoglucid [INN:BAN], EINECS 217-784-7, NSC 80439, UNII-4F9KUA0T4D, BRN 4311213, Triethylene glycol, bis(2,3-epoxypropyl) ether, Ethane, 1,2-bis(2-(2,3-epoxypropoxy)ethoxy)-, 4,7,10,13-Tetraoxahexadecane, 1,2:15,16-diepoxy-, ETOGLUCID [MI], Oxirane, 2,2'-(2,5,8,11-tetraoxadodecane-1,12-diyl)bis-, ETOGLUCID [MART.], ETOGLUCID [WHO-DD], SCHEMBL8442, 5-17-03-00020 (Beilstein Handbook Reference), 1,3-epoxypropoxy)ethoxy]ethane, CHEMBL460287, CHEBI:82542, DTXSID80862800, UMILHIMHKXVDGH-UHFFFAOYSA-N, ICI32865, AKOS015905688, DB13339, Triethylene glycol,3-epoxypropyl) ether, WLN: T3OTJ B1O2O2O2O1- BT3OTJ, NS00046606, Ethane,2-bis[2-(2,3-epoxypropoxy)ethoxy]-, 1,16-Diepoxy-4,7,10,13-tetraoxahexadecane, C19537, D07256, H67748, 2,5,8,11-Tetraoxa-1,12-dodecanediyl)bisoxirane, Q548286, 4,10,13-Tetraoxahexadecane, 1,2:15,16-diepoxy-, 2,2'-(2,5,8,11-Tetraoxa-1,12-dodecanediyl)bisoxirane, Oxirane,2'-(2,5,8,11-tetraoxadodecane-1,12-diyl)bis-, 2,2'-(2,5,8,11-Tetraoxadodecane-1,12-diyl)bis(oxirane), 2-[2-[2-[2-(oxiran-2-yl-methoxy)-ethoxy]-ethoxy]-ethoxy-methyl]-oxirane
Theoretical properties:
molecular_formula: C12H22O6
molecular_weight: 262.30 g/mol
exact_mass: 262.14163842 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 13
heavy_atom_count: 18
topological_polar_surface_area: 62 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: at 0.27kPa: 195-197 °C
melting_point: -15 - -11 °C
density: Relative density (water = 1): 1.13
Descriptions:
pubchem: Triethylene glycol diglycidyl ether is an epoxide.
chembl: ETOGLUCID is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Etoglucid is a drug used in chemotherapy. It is an epoxide compound.
SMILES: O=c1c(OC)ccc-2c(c1)[C@@H](NC)CCc3c2c(OC)c(OC)c(OC)c3
InChIKey: NNJPGOLRFBJNIW-HNNXBMFYSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A secondary amino compound that is (<i>S</i>)-colchicine in which the <em>N</em>-acetyl group is replaced by an <em>N</em>-methyl group. Isolable from the autumn crocus, <em>Colchicum autumnale</em>, it is less toxic than colchicine and is used as an antineoplastic.
chembl: DEMECOLCINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
SMILES: N(\NC(=N)N)=C(/C=N/NC(=N)N)\C
InChIKey: MXWHMTNPTTVWDM-NXOFHUPFSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A hydrazone obtained by formal condensation of the two carbonyl groups of methylglyoxal with the primary amino groups of two molecules of aminoguanidine.
chembl: MITOGUAZONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
Compound: Ortataxel
SMILES: O=C1[C@]2([C@@H]([C@@]3(OC(=O)C)[C@H](OC3)C[C@@H]2O)[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@@H](C(=C([C@H]1OC(=O)C)C6(C)C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)CC(C)C)C
InChIKey: BWKDAMBGCPRVPI-ZQRPHVBESA-N
Synonyms: Ortataxel, 186348-23-2, Bay-59-8862, IDN-5109, SB-T-101131, IDN 5109, idn5109, BAY 59-8862, SB-T 101131, IND5109, 8H61Y4E29N, 13-(N-tert-butoxycarbonyl-beta-isobutyisoserinyl)-14-hydroxy-baccatin-1,14-carbonate, [(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-diacetyloxy-9-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate, DTXSID10870170, (3aS,4R,5E,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-Bis(acetyloxy)-13-(benzoyloxy)-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahydro-6,13a-methano-13aH-oxeto(2',3':5',6')benzo(1',2':4,5)cyclodeca(1,2-d)-1,3-dioxol-4-yl(2R,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-5-methylhexanoate, ortataxelum, ((1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-diacetyloxy-9-hydroxy-15-((2R,3S)-2-hydroxy-5-methyl-3-((2-methylpropan-2-yl)oxycarbonylamino)hexanoyl)oxy-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trioxapentacyclo(11.6.1.01,16.03,10.04,7)icos-13-en-2-yl) benzoate, RefChem:168591, DTXCID501511368, BAY59-8862, Ortataxel [INN], [(1S,2S,4S,7R,9S,10S,12R,15R,16S)-4,12-Diacetyloxy-9-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate, UNII-8H61Y4E29N, ORTATAXEL [WHO-DD], 13-(N-tert-butoxycarbonyl-beta-isobutyisoserinyl)-14-hydroxybaccatin-1,14-carbonate, BAY-59, CHEMBL382300, SCHEMBL9932772, DB11669, HY-16371, CS-0006305, NS00073489, (3aS,4R,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-Bis(acetyloxy)-4-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-5-methylhexanoyl}oxy)-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahydro-2H-6,13a-methano[1,3]dioxolo[8,9]cyclodeca[1,2-d][1]benzoxet-13-yl benzoate, Hexanoic acid, 3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-5-methyl-, (3aS,4R,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-bis(acetyloxy)-13-(benzoyloxy)-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahydro-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-6,13a-methano-13aH-oxeto(2'',3'':5',6')benzo(1',2':4,5)cyclodeca(1,2-d)-1,3-dioxol-4-yl ester, (2R,3S)-
Theoretical properties:
Physical properties:
Descriptions:
chembl: ORTATAXEL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Ortataxel is a drug used in chemotherapy.
As of June 2009, Spectrum Pharmaceuticals has the drug in a Phase 2 clinical trial.
SMILES: O=c1n2c(-c3nc4ccccc4c(c3C2)CCNC(C)C)cc5c1COC([C@]5(O)CC)=O
InChIKey: LNHWXBUNXOXMRL-VWLOTQADSA-N
Theoretical properties:
Physical properties:
Descriptions:
chembl: BELOTECAN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
Compound: ELSAMITRUCIN
SMILES: O=c1oc2c3c(c(=O)oc4c3c1c(O)c5c4c(O[C@@H]6O[C@@H]([C@H](O)[C@@]([C@H]6O[C@H]7O[C@@H]([C@H](O)[C@@H]([C@H]7N)OC)C)(O)C)C)ccc5)c(C)cc2
InChIKey: MGQRRMONVLMKJL-KWJIQSIXSA-N
Synonyms: ELSAMITRUCIN, Elsamicin A, 97068-30-9, Elsamitrucina, Elsamitrucine, Elsamitrucinum, BBM-2478A, BMY-28090, ZTV0FOB6NU, 10-O-Elsaminosylelsarosylchartarin, NSC-369327, BBM 2478A, BRN 5214813, DTXSID101028137, 3-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione, Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((2-O-(2-amino-2,6-dideoxy-3-O-methyl-alpha-D-galactopyranosyl)-6-deoxy-3-C-methyl-beta-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl-, 3-((2S,3R,4S,5S,6R)-3-((2R,3R,4R,5S,6R)-3-amino-5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo(10.6.2.02,7.09,19.016,20)icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione, RefChem:590719, DTXCID101513712, Benzo(h)(1)benzopyrano(5,4,3-cde)(1)ebnzopyran-5,12-dione,10((2-O-(2-amino-2,6-dideoxy-3-O-methyl-alpha-D-galactopyranosyl)-6-deoxy-3-C-methyl-beta-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl, UNII-ZTV0FOB6NU, Antibiotic BBM 2478A, Elsamitrucin [USAN:INN], Elsamitrucine [INN-French], Elsamitrucinum [INN-Latin], Elsamitrucina [INN-Spanish], BMY 28090, SPI 28090, Elsamitrucin [WHO-DD], 2-Amino-2,6-dideoxy-3-O-methyl-D-galactose, Elsamitrucin (USAN/INN), ELSAMITRUCIN [INN], ELSAMITRUCIN [USAN], SCHEMBL3988, E-87/025, orb1741274, CHEMBL2106409, SCHEMBL29385183, SCHEMBL29446077, CHEBI:222664, MGQRRMONVLMKJL-KWJIQSIXSA-N, BBM-2478 A, BU-2478A, BMS-181171, DB05129, NSC 369327, 10-(((2S,3R,4S,5S,6R)-3-(((2R,3R,4R,5S,6R)-3-amino-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-6-hydroxy-1-methylbenzo[h]chromeno[5,4,3-cde]chromene-5,12-dione, HY-16192, CS-0006183, NS00011750, D03977, Q5367460, BENZO(H)(1)BENZOPYRANO(5,4,3-CDE)(1)BENZOPYRAN-5,12-DIONE, 10-((2-O-(2-AMINO-2,6-DIDEOXY-3-O-METHYL-.ALPHA.-D-GALACTOPYRANOSYL)-6-DEOXY-3-C-METHYL-.BETA.-D-GALACTOPYRANOSYL)OXY)-6-HYDROXY-1-METHYL-
Theoretical properties:
molecular_formula: C33H35NO13
molecular_weight: 653.6 g/mol
exact_mass: 653.21084017 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 14
rotatable_bond_count: 5
heavy_atom_count: 47
topological_polar_surface_area: 206 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Elsamicin A is a glycoside and a benzochromenone.
chembl: ELSAMITRUCIN is a oligosaccharide listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Elsamitrucin (elsamicin A) is a drug used in chemotherapy. Elsamitrucin is chemically related to chartreusin.
Compound: Aleuritic acid
SMILES: O=C(O)CCCCCCC[C@H](O)[C@H](O)CCCCCCO
InChIKey: MEHUJCGAYMDLEL-LSDHHAIUSA-N
Synonyms: Aleuritic acid, (9S,10R)-9,10,16-trihydroxyhexadecanoic acid, SCHEMBL284713, DTXSID10878090, MEHUJCGAYMDLEL-LSDHHAIUSA-N, AKOS015892946, A1293, Q4716536
Theoretical properties:
molecular_formula: C16H32O5
molecular_weight: 304.42 g/mol
exact_mass: 304.22497412 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 15
heavy_atom_count: 21
topological_polar_surface_area: 98 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Aleuritic acid, or α-aleuritic acid, is a major ingredient in shellac, constituting about 35% of it. It is used as a starting material in the perfume industry for the preparation of musk aroma.
Compound: JZL184
SMILES: O=[N+]([O-])c1ccc(OC(=O)N2CCC(C(O)(c3cc4OCOc4cc3)c5cc6OCOc6cc5)CC2)cc1
InChIKey: SEGYOKHGGFKMCX-UHFFFAOYSA-N
Synonyms: JZL184, JZL 184, RefChem:924025, 1101854-58-3, JZL-184, 4-nitrophenyl 4-(bis(benzo[d][1,3]dioxol-5-yl)(hydroxy)methyl)piperidine-1-carboxylate, 4-nitrophenyl 4-[bis(2H-1,3-benzodioxol-5-yl)(hydroxy)methyl]piperidine-1-carboxylate, MFCD11976911, 7MZ1I2J68A, CHEMBL576786, JZL184 (with 15% inorganics), 4-Nitrophenyl 4-(dibenzo[d][1,3]dioxol-5-yl(hydroxy)methyl)piperidine-1-carboxylate, 1-Piperidinecarboxylic acid, 4-(bis(1,3-benzodioxol-5-yl)hydroxymethyl)-, 4-nitrophenyl ester, BDBM50300355, UNII-7MZ1I2J68A, 4-Nitrophenyl Ester 4-?[Bis(1,?3-?benzodioxol-?5-?yl)?hydroxymethyl]?-1-piperidinecarboxylic Acid;, (4-nitrophenyl) 4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]piperidine-1-carboxylate, GTPL5207, orb1300664, SCHEMBL15094611, BDBM60622, CHEBI:95015, DTXSID10648437, JZL184?, HMS3648E14, HMS3652L12, HMS3748C11, HMS3869G03, HMS3886O05, EX-A2084, NSC763094, s4904, AKOS024457824, CCG-269853, CS-3373, NSC-763094, 4-nitrophenyl 4-(bis(benzo[d][1,3]dioxol-5-yl)(hydroxy)methyl)piperidine-1-carboxylate., NCGC00263237-01, NCGC00263237-07, AC-32940, AS-55915, DA-64679, HY-15249, US9133148, A, SW220159-1, SR-01000946358, SR-01000946358-1, BRD-K45446451-001-01-9, BRD-K45446451-001-05-0, Q27893460, (4-nitrophenyl) 4-[bis(1,3-benzodioxol-5-yl)-hydroxy-methyl]piperidine-1-carboxylate, 4-nitrophenyl 4-(dibenzo[d][1,3]dioxol-5-yl-(hydroxy)methyl)piperidine-1-carboxylate, 4-nitrophenyl-4-(dibenzo[d]-[1,3]dioxol-5-yl(hydroxy)methyl)piperidine-1-carboxylate, 4-nitrophenyl-4-[bis(1,3-benzodioxol-5-yl)(hydroxy)methyl]piperidine-1-carboxylate, 4-Nitrophenyl4-(Bis(Benzo[D][1,3]Dioxol-5-Yl)(Hydroxy)Methyl)Piperidine-1-Carboxylate
Theoretical properties:
molecular_formula: C27H24N2O9
molecular_weight: 520.5 g/mol
exact_mass: 520.14818035 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 9
rotatable_bond_count: 5
heavy_atom_count: 38
topological_polar_surface_area: 133 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]-1-piperidinecarboxylic acid (4-nitrophenyl) ester is a member of benzodioxoles.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: JZL184 is an irreversible inhibitor for monoacylglycerol lipase (MAGL), the primary enzyme responsible for degrading the endocannabinoid 2-arachidonoylglycerol (2-AG). It displays high selectivity for MAGL over other brain serine hydrolases, including the anandamide-degrading enzyme fatty acid amide hydrolase (FAAH), thereby making it a useful tool for studying the effects of endogenous 2-AG signaling, in vivo.  Administration of JZL184 to mice was reported to cause dramatic elevation of brain 2-AG leading to several cannabinoid-related behavioral effects.
Compound: EVOXINE
SMILES: o1c2nc3c(OC)c(OCC(O)C(O)(C)C)ccc3c(c2cc1)OC
InChIKey: FGANMDNHTVJAHL-UHFFFAOYSA-N
Synonyms: EVOXINE, 522-11-2, 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol, DTXSID801028138, 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methyl-butane-2,3-diol, 1-(4,8-dimethoxyfuro(2,3-b)quinolin-7-yl)oxy-3-methyl-butane-2,3-diol, 1-(4,8-dimethoxyfuro(2,3-b)quinolin-7-yl)oxy-3-methylbutane-2,3-diol, RefChem:139690, DTXCID801513713, NSC94653, 1-[(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy]-3-methylbutane-2,3-diol, 2,3-Butanediol, 1-((4,8-dimethoxyfuro(2,3-b)quinolin-7-yl)oxy)-3-methyl-, (+)-, 1-(4,8-dimethoxyfurano[2,3-b]quinolin-7-yloxy)-3-methylbutane-2,3-diol, 1-((4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy)-3-methylbutane-2,3-diol, 2,3-Butanediol, 1-[(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy]-3-methyl-, (+)-, Prestwick_160, NSC 94653, Evoxine (Haploperine), Spectrum_001734, SpecPlus_000604, Prestwick0_000665, Prestwick1_000665, Prestwick2_000665, Spectrum2_001625, Spectrum3_000985, Spectrum4_001111, Spectrum5_001911, CBMicro_015580, Cambridge id 5255766, BSPBio_002649, KBioGR_001582, KBioSS_002214, MLS000104988, DivK1c_006700, SPECTRUM1504020, SPBio_001689, SPBio_002650, CHEBI:4952, orb1705937, CHEMBL1416006, SCHEMBL10200371, SCHEMBL30609974, SCHEMBL30609975, KBio1_001644, KBio2_002214, KBio2_004782, KBio2_007350, KBio3_001869, GLXC-07464, HMS1570E11, HMS2330P21, HMS3373D19, CCG-38745, MFCD00274507, NSC-94653, STL372642, AKOS005224064, SDCCGMLS-0005807.P002, (+)-1-((4,8-Dimethoxyfuro(2,3-b)quinolin-7-yl)oxy)-3-methyl-2,3-butanediol, NCGC00017284-02, NCGC00017284-03, NCGC00017284-04, NCGC00017284-05, NCGC00087752-02, NCGC00087752-03, NCI60_042106, SMR000054917, ST005174, BIM-0015493.P001, AG-690/08590015, SR-01000624769, Q5418774, SR-01000624769-3, BRD-A99268498-001-03-5, BRD-A99268498-001-06-8, 1-[(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy]-3-methyl-2,3-butanediol
Theoretical properties:
molecular_formula: C18H21NO6
molecular_weight: 347.4 g/mol
exact_mass: 347.13688739 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 6
heavy_atom_count: 25
topological_polar_surface_area: 94.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Evoxine is an organic heterotricyclic compound, an organonitrogen heterocyclic compound and an oxacycle.
chembl: EVOXINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Evoxine (haploperine) is a furoquinoline alkaloid with hypnotic and sedative effects. It is found naturally in a variety of Australian and African plants including Evodia xanthoxyloides and Teclea gerrardii.
Compound: 2,5-Furandicarboxylic acid
SMILES: O=C(O)c1oc(C(=O)O)cc1
InChIKey: CHTHALBTIRVDBM-UHFFFAOYSA-N
Synonyms: 2,5-Furandicarboxylic acid, 3238-40-2, Furan-2,5-dicarboxylic acid, Dehydromucic acid, Furane-alpha,alpha'-dicarboxylic acid, 73C4JJ695C, NSC-40740, DTXSID0062927, CHEBI:84212, FDCA cpd, RefChem:444679, DTXCID4038500, 221-800-8, MFCD00016582, Furan-2,5-Dicarboxylicacid, 2,5-furandicarboxylate, 2,5 furan dicarboxylic acid, Furan 2,5-dicarboxylic acid, Furane-.alpha.,.alpha.'-dicarboxylic acid, furan-2,5-dicarbonsaeure, 2,5-Furandicarboxylicacid, Dehydromucate, Dehydroschleimsaeure, 7FN, EINECS 221-800-8, NSC 40740, FDCA, Furan 2,5-dicarboxylate, Furane-a,a'-dicarboxylate, EC 221-800-8, 1,5-Furandicarboxylic acid, 2,5-furan dicarboxylic acid, SCHEMBL38726, Furane-a,a'-dicarboxylic acid, UNII-73C4JJ695C, orb1301932, 2,5-Furandicarboxylic acid, 97%, ALBB-012840, NSC40740, BBL037231, GEO-01437, s6320, SBB053079, STL508281, AKOS005169851, MSK2633-1000M, CS-W002105, EBC-151125, FF13835, HY-W002105, PS-8853, AC-22967, SY016939, DB-005878, DB-019177, F0710, NS00006168, ST45028095, C20450, EN300-110895, AR-360/40225989, F043251, Q-102496, Q4596798, F0001-5185, Z1255427253, 2,5-Furandicarboxylic acid Solution in Methanol, 1000ug/mL
Theoretical properties:
molecular_formula: C6H4O5
molecular_weight: 156.09 g/mol
exact_mass: 156.00587322 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 2
heavy_atom_count: 11
topological_polar_surface_area: 87.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 342 °C
solubility: 1 mg/mL at 18 °C
Descriptions:
pubchem: Furan-2,5-dicarboxylic acid is a member of the class of furans carrying two carboxy substituents at positions 2 and 5. It has a role as a human urinary metabolite. It is a member of furans and a dicarboxylic acid. It is a conjugate acid of a furan-2,5-dicarboxylate.
chebi: A member of the class of furans carrying two carboxy substituents at positions 2 and 5.
wikipedia: 2,5-Furandicarboxylic acid (FDCA) is an organic chemical compound consisting of two carboxylic acid groups attached to a central furan ring. It was first reported as dehydromucic acid by Rudolph Fittig and Heinzelmann in 1876, who produced it via the action of concentrated hydrobromic acid upon mucic acid.  It can be produced from certain carbohydrates and as such is a renewable resource, it was identified by the US Department of Energy as one of 12 priority chemicals for establishing the "green" chemistry industry of the future. 
Furan-2,5-dicarboxylic acid (FDCA) has been suggested as an important renewable building block because it can substitute for terephthalic acid (PTA) in the production of polyesters and other current polymers containing an aromatic moiety.
Compound: (2R,6R,11R)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-propen-1-yl)-2,6-methano-3-benzazocin-8-ol
SMILES: Oc1cc2c(C[C@H]3N(CC=C)CC[C@@]2([C@H]3C)C)cc1
InChIKey: LGQCVMYAEFTEFN-JCURWCKSSA-N
Synonyms: (2R,6R,11R)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-propen-1-yl)-2,6-methano-3-benzazocin-8-ol, RefChem:397676, 14198-28-8, (-)-N-ALLYLNORMETAZOCINE, (-)-ALAZOCINE, (-)-SKF-10047, (1R,9R,13R)-1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol, SKF-10047, (2R,6R,11R)-6,11-dimethyl-3-(prop-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol, Alazocine, (+/-)-, L884482HDD, 3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol, DTXSID301365161, WIN-19631, 7619-35-4, ALAZOCINE, (-)-, 2'-hydroxy-5,9-dimethyl-2-allyl-6,7-benzomorphan, (-)-NANM, SCHEMBL29374353, DTXSID20931281, CHEBI:228224, l-SKF 10047, 7313-95-3, (+/-)-N-ALLYLNORMETAZOCINE, (-)-SKF 10047, (-)SKF 10,047, (-)-SK&F-10047, (-)-SKF-10,047, (+/-)-SKF-10047, Q4708930, (2r,6r,11r)-6,11-dimethyl-3-prop-2-en-1-yl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol, 2,6-METHANO-3-BENZAZOCIN-8-OL, 1,2,3,4,5,6-HEXAHYDRO-6,11-DIMETHYL-3-(2-PROPEN-1-YL)-, (2R,6R,11R)-, 2,6-METHANO-3-BENZAZOCIN-8-OL, 1,2,3,4,5,6-HEXAHYDRO-6,11-DIMETHYL-3-(2-PROPEN-1-YL)-, (2R,6R,11R)-REL-
Theoretical properties:
molecular_formula: C17H23NO
molecular_weight: 257.37 g/mol
exact_mass: 257.177964357 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 19
topological_polar_surface_area: 23.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: (-)-SKF-10,047 is the ()-stereoisomer of SKF-10,047.
chebi: The (−)-stereoisomer of SKF-10,047.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.