TPCN00577

Name 10-hydroxyscandine
Molecular Formula C21H22N2O4
Molecular Weight 366.42
CAS Registry Number 119188-47-5
SMILES C=CC12C=CCN3CCC4(c5cc(O)ccc5NC(=O)C4(C(=O)OC)C1)C32
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Melodinus henryi Barks 0.000128% Fitoterapia, 2019, 138, 104354. 10.1016/j.fitote.2019.104354
Properties
HBA 6 HBD 2
HeavyAtoms 27 AlogP 1.96
TPSA 78.87 RotatableBonds 2
FractionCSP3 0.43 Rings 5
AromaticRings 1 AliphaticRings 4