TPCN00361

Name Alstilobanine C
Molecular Formula C19H22N2O3
Molecular Weight 326.40
CAS Registry Number 1044536-60-8
SMILES COC(=O)C12COCCC3C(NCCC31)c1c2[nH]c2ccccc12
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Alstonia rostrata Barks 0.000429% Org Lett, 2012, 14, 3450-3453. 10.1021/ol301400e
Properties
HBA 5 HBD 2
HeavyAtoms 24 AlogP 2.28
TPSA 63.35 RotatableBonds 1
FractionCSP3 0.53 Rings 5
AromaticRings 2 AliphaticRings 3