TPCN00437

Name 7-hydroxyisopaynantheine
Molecular Formula C23H28N2O5
Molecular Weight 412.49
CAS Registry Number 1499174-71-8
SMILES C=CC1CN2CCC3(O)C(=Nc4cccc(OC)c43)C2CC1C(=COC)C(=O)OC
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Mitragyna diversifolia Barks 0.000280% Phytochemistry, 2013, 96, 389-398. 10.1016/j.phytochem.2013.10.002
Properties
HBA 7 HBD 1
HeavyAtoms 30 AlogP 2.57
TPSA 80.59 RotatableBonds 5
FractionCSP3 0.48 Rings 4
AromaticRings 1 AliphaticRings 3