TPCN00355

Name Angustoline
Molecular Formula C20H17N3O2
Molecular Weight 331.38
CAS Registry Number 40041-95-0
SMILES CC(O)c1cncc2c(=O)n3c(cc12)-c1[nH]c2ccccc2c1CC3
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Nauclea subdita Barks 0.000441% PLoS One, 2014, 9, e87286. 10.1371/journal.pone.0087286
Properties
HBA 5 HBD 2
HeavyAtoms 25 AlogP 3.15
TPSA 70.91 RotatableBonds 1
FractionCSP3 0.20 Rings 5
AromaticRings 4 AliphaticRings 1