TPCN00923

Name Isohelenol
Molecular Formula C15H18O5
Molecular Weight 278.30
CAS Registry Number 71013-32-6
SMILES CC1CC2OC(=O)C(CO)=C2C(O)C2(C)C(=O)C=CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Helenium microcephalum Whole plants 0.010000% J Nat Prod 42(3): 282-286.(1979) 10.1021/np50003a007
Properties
HBA 5 HBD 2
HeavyAtoms 20 AlogP 0.36
TPSA 83.83 RotatableBonds 1
FractionCSP3 0.60 Rings 3
AromaticRings 0 AliphaticRings 3