| 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 | None |
| Isomeric SMILES | None |
| Molecular Formula | C30H34O13 |
| Molecular Weight | 602.6 |
| synonyms | ['PICROTOXIN', 'Cocculin', 'Cocculus', 'Picrotoxinum', 'Oriental berry', 'Indian berry', 'Picrotoxine', 'Picrotox', 'Coques du levant', '124-87-8', 'Picrotin, compound with picrotoxinin (1:1)', 'EPA Pesticide Chemical Code 002301', 'AI3-17689', 'ZLT174DL7U', '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,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', 'CHEBI:134126', 'DTXCID501508563', '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', '204-716-6', 'Coques du levant [French]', 'Caswell No. 663A', 'Picrotoxinin - picrotin', 'Picrotoxin [NF]', 'HSDB 6385', 'EINECS 204-716-6', 'UNII-ZLT174DL7U', 'NSC 403139', 'GTPL4051', 'Picrotoxin - Bio-X trade mark', 'SCHEMBL16319990', 'VJKUPQSHOVKBCO-ZTYBEOBUSA-N', 'DB00466', 'FP52506', 'BP166191', 'DA-56858', 'Q416602'] |
From Pubchem