TPCN06219

Name Kadcoccine acid I
Molecular Formula C30H44O4
Molecular Weight 468.68
CAS Registry Number 2022944-09-6
SMILES C=C1C(C(C)CCC=C(C)C(=O)O)CCC2(C)C1CC1C3(C)CCC(=O)C(C)(C)C3CC3OC312
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Kadsura coccinea Stems 0.000206% J Nat Prod . 2016 Oct 28;79(10):2590-2598 10.1021/acs.jnatprod.6b00508
Properties
HBA 4 HBD 1
HeavyAtoms 34 AlogP 6.60
TPSA 66.90 RotatableBonds 5
FractionCSP3 0.80 Rings 5
AromaticRings 0 AliphaticRings 5