TPCN00090

Name (?)-N-methoxycarbonyl-11,12-methylenedioxykopsinaline
Molecular Formula C24H28N2O7
Molecular Weight 456.50
CAS Registry Number 1358-62-9
SMILES COC(=O)N1c2c(ccc3c2OCO3)C23CCN4CCCC5(CCC12C(O)(C(=O)OC)C5)C43
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Kopsia officinalis Aerial parts 0.007059% J Nat Prod, 2017, 80, 864-871. 10.1021/acs.jnatprod.6b00697
Properties
HBA 9 HBD 1
HeavyAtoms 33 AlogP 1.93
TPSA 97.77 RotatableBonds 1
FractionCSP3 0.67 Rings 8
AromaticRings 1 AliphaticRings 7