TPCN00375

Name 16-epi-14,15-dehydrovincanol
Molecular Formula C20H24N2O
Molecular Weight 308.43
CAS Registry Number 1997284-38-4
SMILES CCC12C=CCN3CCC4=C(C31)N(c1ccccc1C4)C(O)C2
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Melodinus khasianus Aerial parts 0.000389% J Nat Prod, 2016, 79, 2158-2185. 10.1021/acs.jnatprod.6b00011
Properties
HBA 3 HBD 1
HeavyAtoms 23 AlogP 3.07
TPSA 26.71 RotatableBonds 1
FractionCSP3 0.50 Rings 5
AromaticRings 1 AliphaticRings 4