TPCN00356

Name Conodurine
Molecular Formula C43H52N4O5
Molecular Weight 704.91
CAS Registry Number 2665-57-8
SMILES CC=C1CN(C)C2Cc3c([nH]c4ccccc34)C(c3c(OC)ccc4c5c([nH]c34)C3(C(=O)OC)CC4CC(CC)C3N(CC5)C4)CC1C2C(=O)OC
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Tabernaemontana bufalina Aerial parts 0.000440% Planta Med, 2018, 84, 1127-1133. 10.1055/a-0608-4988
Properties
HBA 9 HBD 2
HeavyAtoms 52 AlogP 6.49
TPSA 99.89 RotatableBonds 5
FractionCSP3 0.53 Rings 10
AromaticRings 4 AliphaticRings 6