TPCN00287

Name Methyl 11,12-methylenedioxychanofruticosinate
Molecular Formula C24H26N2O7
Molecular Weight 454.48
CAS Registry Number 80151-90-2
SMILES COC(=O)N1c2c(ccc3c2OCO3)C23C4CN5CCCC(CCC12C(=O)OC)(CC4=O)C53
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Kopsia officinalis Aerial parts 0.000682% J Nat Prod, 2017, 80, 864-871. 10.1021/acs.jnatprod.6b00697
Properties
HBA 9 HBD 0
HeavyAtoms 33 AlogP 2.00
TPSA 94.61 RotatableBonds 1
FractionCSP3 0.63 Rings 7
AromaticRings 1 AliphaticRings 6