TPCN00846

Name Anatolicin
Molecular Formula C24H28O5
Molecular Weight 396.48
CAS Registry Number 2379346-96-8
SMILES C=C1CCC2C(C)(C=O)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Heptaptera anatolica Roots 0.038000% Molecules 24(6).(2019) 10.3390/molecules24061153
Properties
HBA 5 HBD 1
HeavyAtoms 29 AlogP 4.12
TPSA 76.74 RotatableBonds 4
FractionCSP3 0.50 Rings 4
AromaticRings 2 AliphaticRings 2