TPCN00318

Name (?)-11,12-methylenedioxykopsinaline
Molecular Formula C22H26N2O5
Molecular Weight 398.46
CAS Registry Number 88607-48-1
SMILES COC(=O)C1(O)CC23CCCN4CCC5(c6ccc7c(c6NC15CC2)OCO7)C43
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Kopsia officinalis Aerial parts 0.000541% J Nat Prod, 2017, 80, 864-871. 10.1021/acs.jnatprod.6b00697
Properties
HBA 7 HBD 2
HeavyAtoms 29 AlogP 1.77
TPSA 80.26 RotatableBonds 1
FractionCSP3 0.68 Rings 8
AromaticRings 1 AliphaticRings 7