TPCN02401

Name Kamebakaurin
Molecular Formula C20H30O5
Molecular Weight 350.46
CAS Registry Number 73981-34-7
SMILES C=C1C(=O)C23C(O)CC4C(C)(C)CCC(O)C4(CO)C2CCC1C3O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Isodon inflexus Aerial parts 0.001667% Nat Prod Res 30, 995-1000 (2016). 10.1080/14786419.2015.1094803
Properties
HBA 5 HBD 4
HeavyAtoms 25 AlogP 1.04
TPSA 97.99 RotatableBonds 1
FractionCSP3 0.85 Rings 4
AromaticRings 0 AliphaticRings 4