TPCN00532

Name N-methyllaurotetanine
Molecular Formula C20H23NO4
Molecular Weight 341.41
CAS Registry Number 2169-44-0
SMILES COc1cc2c(cc1O)CC1c3c(cc(OC)c(OC)c3-2)CCN1C
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Hernandiaceae Illigera aromatica Stems 0.000161% Nat Prod Res, 2019, 1-7. 10.1080/14786419.2019.1614574
Properties
HBA 5 HBD 1
HeavyAtoms 25 AlogP 3.17
TPSA 51.16 RotatableBonds 3
FractionCSP3 0.40 Rings 4
AromaticRings 2 AliphaticRings 2