| Phytochemical Name : Picrotoxin |
| PCNDIDP0114 |
| Pubchem CID : 31304 |
| Molecular formula: C30H34O13 |
| 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 |
Synonymes : PICROTOXIN|Cocculin|Picrotoxinum|Cocculus|Oriental berry|Indian berry|Picrotox|Picrotoxine|Coques du levant|Coques du levant [French]|Caswell No. 663A|Picrotoxinin - picrotin|Picrotoxin [NF]|124-87-8|HSDB 6385|Picrotin, compound with picrotoxinin (1:1)|EINECS 204-716-6|UNII-ZLT174DL7U|EPA Pesticide Chemical Code 002301|NSC 403139|AI3-17689|Sesquiterpene|NA1584|UN1584|C15H18O7.C15H16O6|Picrotoxinin-picrotin|Picrotin-Picrotoxinin|C15-H18-O7.C15-H16-O6|P 1675|D0KR9U|ZLT174DL7U|Picrotoxin (Compound of one mole Picrotoxinin and one mole Picrotin)|GTPL4051|SCHEMBL16319990|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*))-, com|C15H16O6.C15H18O7|DB00466|BP166191|LS-109760|Q416602|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,2aR,3S,6R,6aS,8aS,8bR,9S)-& (1aR,2aR,3S,6R,6aS,8aS,8bR,9R|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-(1a.alpha.,2 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.650 |
| Log Po/w (XLOGP3) : -0.300 |
| Log Po/w (WLOGP) : -0.930 |
| Log Po/w (MLOGP) : 0.090 |
| Log Po/w (SILICOS-IT) : 0.710 |
| Consensus Log Po/w : 0.440 |