TPCN00094

Name Diversinin
Molecular Formula C19H20O4
Molecular Weight 312.37
CAS Registry Number 57818-86-7
SMILES CC(C)=CC(=O)CC(C)=CCOc1ccc2ccc(=O)oc2c1
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Ferula assa-foetida Roots 0.006800% Phytochemistry, 2001, 57, 1201-1207. 10.1016/s0031-9422(01)00246-1
Properties
HBA 4 HBD 0
HeavyAtoms 23 AlogP 4.04
TPSA 56.51 RotatableBonds 6
FractionCSP3 0.26 Rings 2
AromaticRings 2 AliphaticRings 0