Compound Information | SONAR Target prediction |
Name: | PIMPINELLIN |
Unique Identifier: | SPE00300013 |
MolClass: | Checkout models in ver1.5 and ver1.0 |
Molecular Formula: | |
Molecular Weight: | 236.136 g/mol |
X log p: | 9.524 (online calculus) |
Lipinksi Failures | 1 |
TPSA | 53.99 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptors Count: | 5 |
Rotatable Bond Count: | 2 |
Canonical Smiles: | COc1c(OC)c2C=CC(=O)Oc2c2ccoc12 |
Class: | coumarin |
Source: | Heracleum maximum root; mp 118-119 C |
Reference: | Monatsh 59: 161 (1932); J Org Chem 35: 2294 (1970) |
Therapeutics: | GABA receptor antagonist, phototoxin |