TPCN03106

Name Tricalysiamide B
Molecular Formula C20H29NO3
Molecular Weight 331.46
CAS Registry Number 938050-30-7
SMILES CC12CCC3NC(=O)C=C3C1CCC13CC(CCC12)C(O)(CO)C3
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Tricalysia dubia Woods 0.000061% J Nat Prod 70, 758-762 (2007). 10.1021/np0680681
Properties
HBA 4 HBD 3
HeavyAtoms 24 AlogP 2.15
TPSA 69.56 RotatableBonds 1
FractionCSP3 0.85 Rings 5
AromaticRings 0 AliphaticRings 5