TPCN00057

Name Cantleyine
Molecular Formula C11H13NO3
Molecular Weight 207.23
CAS Registry Number 30333-81-4
SMILES COC(=O)c1cncc2c1CC(O)C2C
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Loganiaceae Strychnos trinervis Roots 0.017808% Phytomedicine, 1999, 6, 169-176. 10.1016/S0944-7113(99)80005-1
Properties
HBA 4 HBD 1
HeavyAtoms 15 AlogP 0.89
TPSA 59.42 RotatableBonds 1
FractionCSP3 0.45 Rings 2
AromaticRings 1 AliphaticRings 1