TPCN00199

Name Voacamine
Molecular Formula C43H52N4O5
Molecular Weight 704.91
CAS Registry Number 3371-85-5
SMILES CC=C1CN(C)C2Cc3c([nH]c4ccccc34)C(c3cc4[nH]c5c(c4cc3OC)CCN3CC4CC(CC)C3C5(C(=O)OC)C4)CC1C2C(=O)OC
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Voacanga africana Barks 0.001379% Nat Prod Res, 2016, 30, 1144-1150. 10.1080/14786419.2015.1046132
Properties
HBA 9 HBD 2
HeavyAtoms 52 AlogP 6.49
TPSA 99.89 RotatableBonds 5
FractionCSP3 0.53 Rings 10
AromaticRings 4 AliphaticRings 6