TPCN00365

Name Cistachlorin
Molecular Formula C9H13ClO3
Molecular Weight 204.65
CAS Registry Number 91431-88-8
SMILES OC12COC3OCCC(CC1Cl)C32
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Orobanchaceae Cistanche tubulosa Stems 0.000420% Chem Pharm Bull (Tokyo), 2006, 54, 669-675. 10.1248/cpb.54.669
Properties
HBA 3 HBD 1
HeavyAtoms 13 AlogP 0.74
TPSA 38.69 RotatableBonds 0
FractionCSP3 1.00 Rings 3
AromaticRings 0 AliphaticRings 3