TPCN00373

Name Kankanol
Molecular Formula C9H13ClO4
Molecular Weight 220.65
CAS Registry Number 906080-69-1
SMILES OC1CC2CC(Cl)OC3OCC1(O)C23
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Orobanchaceae Cistanche tubulosa Stems 0.000400% Chem Pharm Bull (Tokyo), 2006, 54, 669-675. 10.1248/cpb.54.669
Properties
HBA 4 HBD 2
HeavyAtoms 14 AlogP 0.06
TPSA 58.92 RotatableBonds 0
FractionCSP3 1.00 Rings 3
AromaticRings 0 AliphaticRings 3