TPCN00297

Name Naucleidinal
Molecular Formula C20H20N2O3
Molecular Weight 336.39
CAS Registry Number 77513-45-2
SMILES CC1OC=C2C(=O)N3CCc4c([nH]c5ccccc45)C3CC2C1C=O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Nauclea pobeguinii Barks 0.000639% Z Naturforsch C J Biosci, 2018, 73, 335-347. 10.1515/znc-2017-0127
Properties
HBA 5 HBD 1
HeavyAtoms 25 AlogP 2.73
TPSA 62.40 RotatableBonds 1
FractionCSP3 0.40 Rings 5
AromaticRings 2 AliphaticRings 3