| 2D Structure | |
| CID | 31304 |
| Target | GABRA1 , GABRA6 , GABRB2 , GABRG2 , GABRQ , GABRR1 , GABRR2 , GABRR3 , GLRA2 , GLRA3 |
| IUPAC Name | (1R,3R,5S,8S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;(1R,5S,8S,13R,14R)-1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione |
| InChI | InChI=1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7?,8?,9-,13-,14-,15+;6?,7-,8?,9?,10+,13+,14+,15-/m10/s1 |
| InChI Key | VJKUPQSHOVKBCO-ZTYBEOBUSA-N |
| Canonical SMILES | CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O |
| Isomeric SMILES | CC(=C)[C@@H]1C2[C@@H]3[C@@]4([C@](C1C(=O)O2)(CC5[C@]4(O5)C(=O)O3)O)C.C[C@@]12[C@H]3C4[C@H](C([C@@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O |
| Molecular Formula | C30H34O13 |
| Molecular Weight | 602.6 |
| synonyms | ['PICROTOXIN', 'Cocculin', 'Cocculus', 'Picrotoxinum', 'Picrotox', 'Coques du levant', 'Coques du levant [French]', 'Caswell No. 663A', 'Picrotoxin [NF]', 'HSDB 6385', 'UNII-ZLT174DL7U', 'Picrotin, compound with picrotoxinin (1:1)', 'EINECS 204-716-6', 'EPA Pesticide Chemical Code 002301', 'NSC 403139', 'AI3-17689', 'ZLT174DL7U', 'Coques Du Levant (French)', 'PICROTOXIN (MART.)', 'PICROTOXIN [MART.]', 'PICROTOXIN, (SOLID)', 'PICROTOXIN, [SOLID]', 'Cocculus solid', '(1R,3R,5S,8S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;(1R,5S,8S,13R,14R)-1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione', 'Picrotoxinin-picrotin', 'DTXSID7045605', 'NSC-403139', '(1R,3R,5S,8S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo(6.4.1.19,12.03,5.05,13)tetradecane-6,11-dione;(1R,5S,8S,13R,14R)-1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo(6.4.1.19,12.03,5.05,13)tetradecane-6,11-dione', '(1R,3R,5S,8S,9R,12S,13R,14R)-1-hydroxy-13-methyl-14-(prop-1-en-2-yl)-4,7,10-trioxapentacyclo(6.4.1.1(9,12).0(3,5).0(5,13))tetradecane-6,11-dione--(1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo(6.4.1.1(9,12).0(3,5).0(5,13))tetradecane-6,11-dione (1:1)', '(1R,3R,5S,8S,9R,12S,13R,14R)-1-hydroxy-13-methyl-14-(prop-1-en-2-yl)-4,7,10-trioxapentacyclo[6.4.1.1(9,12).0(3,5).0(5,13)]tetradecane-6,11-dione--(1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1(9,12).0(3,5).0(5,13)]tetradecane-6,11-dione (1:1)', '3,6-METHANO-8H-1,5,7-TRIOXACYCLOPENTA(IJ)CYCLOPROP(A)AZULENE-4,8(3H)-DIONE, HEXAHYDRO-2A-HYDROXY-8B-METHYL-9-(1-METHYLETHENYL)-, (1AR,2AR,3S,6R,6AS,8AS,8BR,9R)-, COMPOUND WITH (1AR,2AR,3S,6R,6AS,8AS,8BR,9S)-HEXAHYDRO-2A-HYDROXY-9-(1-HYDROXY-1-METHYLETHYL)-8B-METHYL-3,6-METHANO-8H-1,5,7-TRIOXACYCLOPENTA(IJ)CYCLOPROP(A)AZULENE-4,8(3H)-DIONE (1:1)', '3,6-METHANO-8H-1,5,7-TRIOXACYCLOPENTA[IJ]CYCLOPROP[A]AZULENE-4,8(3H)-DIONE, HEXAHYDRO-2A-HYDROXY-8B-METHYL-9-(1-METHYLETHENYL)-, (1AR,2AR,3S,6R,6AS,8AS,8BR,9R)-, COMPOUND WITH (1AR,2AR,3S,6R,6AS,8AS,8BR,9S)-HEXAHYDRO-2A-HYDROXY-9-(1-HYDROXY-1-METHYLETHYL)-8B-METHYL-3,6-METHANO-8H-1,5,7-TRIOXACYCLOPENTA[IJ]CYCLOPROP[A]AZULENE-4,8(3H)-DIONE (1:1)', 'Caswell No 663A', 'PICROTOXIN [MI]', 'COCCULUS [MI]', 'PICROTOXIN [HSDB]', 'PICROTOXINUM [HPUS]', 'picrotoxinin-picrotin (1:1)', 'CHEBI:134126', '3,6-Methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1aR-(1aalpha,2abeta,3beta,6beta,6abeta,8aS*,8bbeta,9S*))-, compd. with (1aR-(1aalpha,2abeta,3beta,6beta,6abeta,8', 'PICROTIN, COMPOUND WITH PICROTOXININ(1:1)', '204-716-6', '3,6-methano-8h-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3h)-dione, hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-, (1ar-(1aalpha,2abeta,3beta,6beta,6abeta,8as*,8bbeta,9r*))-, compound with (1ar-(1aalpha,2abeta,3beta,6beta,6abeta,8as*,8bbeta,9s*))-hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-3,6-methano-8h-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3h)-dione (1:1)', '3,6-methano-8h-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3h)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1ar-(1aalpha,2abeta,3beta,6beta,6abeta,8as*,8bbeta,9s*))-, compd with (1ar-(1aalpha,2abeta,3beta,6beta,6abeta,8as*,8bbeta,9r*))-hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-3,6-methano-8h-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3h)-dione', '3,6-methano-8h-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3h)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1ar-(1aalpha,2abeta,3beta,6beta,6abeta,8as*,8bbeta,9s*))-, compd with (1ar-(1aalpha,2abeta,3beta,6beta,6abeta,8as*,8bbeta,9r*))-hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-3,6-methano-8h-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3h)-dione (1:1)', '3,6-methano-8h-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3h)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1ar-(1aalpha,2abeta,3beta,6beta,6abeta,8as*,8bbeta,9s*))-, compound with (1ar-(1aalpha,2abeta,3beta,6beta,6abeta,8as*,8bbeta,9r*))-hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-3,6-methano-8h-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3h)-dione (1:1)', '3,6-methano-8h-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3h)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-,(1ar-(laalpha,2a. beta.,3beta, 6beta,6abeta,8as*,8bbeta,9s*))-, compound with(1ar-(1aalpha,2abeta, 3beta,6beta,6abeta,8as*,8b.beta,9r*))-hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-3,6-methano-8h-1,5,7-trioxacyclopenta(ij) cycloprop(a) azulene-4,8(3h)-dione(1:1)', '3,6-methano-8h-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3h)-dione, hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-, [1ar-(1aalpha,2abeta,3beta,6beta,6abeta,8as*,8bbeta,9r*)]-, compound with [1ar-(1aalpha,2abeta,3beta,6beta,6abeta,8as*,8bbeta,9s*)]-hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-3,6-methano-8h-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3h)-dione (1:1)', '3,6-methano-8h-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3h)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, [1ar-(1aalpha,2abeta,3beta,6beta,6abeta,8as*,8bbeta,9s*)]-, compound with [1ar-(1aalpha,2abeta,3beta,6beta,6abeta,8as*,8bbeta,9r*)]-hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-3,6-methano-8h-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3h)-dione (1:1)', '3,6-methano-8h-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3h)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-,[1ar-(laalpha,2a. beta.,3beta, 6beta,6abeta,8as*,8bbeta,9s*)]-, compound with[1ar-(1aalpha,2abeta, 3beta,6beta,6abeta,8as*,8b.beta,9r*)]-hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-3,6-methano-8h-1,5,7-trioxacyclopenta[ij] cycloprop[a] azulene-4,8(3h)-dione(1:1)', 'Oriental berry', 'Indian berry', '124-87-8', 'Picrotoxine', 'Picrotoxinin - picrotin', 'GTPL4051', 'Picrotoxin - Bio-X trade mark', 'SCHEMBL16319990', 'VJKUPQSHOVKBCO-ZTYBEOBUSA-N', 'DB00466', 'FP52506', 'BP166191', 'DA-56858', 'Q416602'] |
From Pubchem