TPCN00300

Name Subditine
Molecular Formula C20H15N3O2
Molecular Weight 329.36
CAS Registry Number 1648896-12-1
SMILES Cc1ncc2c(=O)n3c(cc2c1C=O)-c1[nH]c2ccccc2c1CC3
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Nauclea subdita Barks 0.000624% PLoS One, 2014, 9, e87286. 10.1371/journal.pone.0087286
Properties
HBA 5 HBD 1
HeavyAtoms 25 AlogP 3.22
TPSA 67.75 RotatableBonds 1
FractionCSP3 0.15 Rings 5
AromaticRings 4 AliphaticRings 1