TPCN00901

Name 14-hydroxycolladonin
Molecular Formula C24H30O5
Molecular Weight 398.50
CAS Registry Number 2379346-95-7
SMILES C=C1CCC2C(C)(CO)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Heptaptera anatolica Roots 0.013000% Molecules 24(6).(2019) 10.3390/molecules24061153
Properties
HBA 5 HBD 2
HeavyAtoms 29 AlogP 3.91
TPSA 79.90 RotatableBonds 4
FractionCSP3 0.54 Rings 4
AromaticRings 2 AliphaticRings 2