TPCN03769

Name Buxippine K
Molecular Formula C25H39NO2
Molecular Weight 385.59
CAS Registry Number 3296-11-5
SMILES C=C1C(N(C)C)CCC23CC24CCC2(C)C(C(C)=O)C(O)CC2(C)C4CCC13
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Cucurbitaceae Citrullus colocynthis Fruits 0.000760% Chem Pharm Bull (Tokyo), 2007, 55, 428-434. 10.1248/cpb.55.428
Properties
HBA 3 HBD 1
HeavyAtoms 28 AlogP 4.45
TPSA 40.54 RotatableBonds 2
FractionCSP3 0.88 Rings 5
AromaticRings 0 AliphaticRings 5