TPCN02706

Name Caesmimotam A
Molecular Formula C21H27NO3
Molecular Weight 341.45
CAS Registry Number 2135881-50-2
SMILES COC(=O)C1(C)CCCC2(C)c3cc4c(c(C)c3CCC12)CC(=O)N4
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Caesalpinia mimosoides Fruits 0.000360% Nat Prod Res 32, 875-879 (2018). 10.1080/14786419.2017.1365070
Properties
HBA 4 HBD 1
HeavyAtoms 25 AlogP 3.67
TPSA 55.40 RotatableBonds 1
FractionCSP3 0.62 Rings 4
AromaticRings 1 AliphaticRings 3