TPCN00331

Name Ochrobonine A
Molecular Formula C19H22N2O2
Molecular Weight 310.40
CAS Registry Number 2580944-64-3
SMILES C=C(c1[nH]c2ccccc2c1COC)C1CC[N+]([O-])=CC1=CC
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Ochrosia borbonica Aerial parts 0.000500% J Asian Nat Prod Res, 2019, 21, 257-261. 10.1080/10286020.2017.1417267
Properties
HBA 4 HBD 1
HeavyAtoms 23 AlogP 3.87
TPSA 51.09 RotatableBonds 4
FractionCSP3 0.32 Rings 3
AromaticRings 2 AliphaticRings 1