TPCN00784

Name Tabernabovines A
Molecular Formula C30H32N4O3
Molecular Weight 496.61
CAS Registry Number 2409958-15-0
SMILES COC(=O)C1C(C2=CN3CCC4(O)c5ccccc5N(C2C)C34)CC2NCCc3c2n1c1ccccc31
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Tabernaemontana bovina Leaves 0.000013% Org Lett, 2019, 21, 5938-5942. 10.1021/acs.orglett.9b02060
Properties
HBA 7 HBD 2
HeavyAtoms 37 AlogP 3.59
TPSA 69.97 RotatableBonds 2
FractionCSP3 0.43 Rings 8
AromaticRings 3 AliphaticRings 5