TPCN00963

Name Chlorohyssopifolin E;Chlorojanerin
Molecular Formula C19H23ClO7
Molecular Weight 398.84
CAS Registry Number 64205-85-2
SMILES C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(O)(CCl)C2C2OC(=O)C(=C)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Cupressaceae Centaurothamnus maximus Leaves 0.006250% Phytother Res 17(2): 168-173.(2003) 10.1002/ptr.1258
Asteraceae Saussurea alata Whole plants 0.002400% Nat Prod Res 21(3): 221-226.(2007) 10.1080/14786410601130752
Asteraceae Psephellus pyrrhoblepharus Aerial parts 0.000853% Molecules 24(17).(2019) 10.3390/molecules24173165
Asteraceae Saussurea alata Whole plants 0.000300% Nat Prod Res 21(3): 221-226.(2007) 10.1080/14786410601130752
Properties
HBA 7 HBD 3
HeavyAtoms 27 AlogP 0.47
TPSA 113.29 RotatableBonds 4
FractionCSP3 0.58 Rings 3
AromaticRings 0 AliphaticRings 3