TPCN02286

Name Excisanin A
Molecular Formula C20H30O5
Molecular Weight 350.46
CAS Registry Number 78536-37-5
SMILES C=C1C(=O)C23C(O)CC4C(C)(C)CCC(O)C4(C)C2CC(O)C1C3O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Isodon inflexus Aerial parts 0.003333% Nat Prod Res 30, 995-1000 (2016). 10.1080/14786419.2015.1094803
Pinaceae Isodon inflexus Aerial parts 0.002071% Arch Pharm Res 31, 1381-1384 (2008). 10.1007/s12272-001-2120-3
Properties
HBA 5 HBD 4
HeavyAtoms 25 AlogP 1.04
TPSA 97.99 RotatableBonds 0
FractionCSP3 0.85 Rings 4
AromaticRings 0 AliphaticRings 4