TPCN03070

Name Lupeol;Compound 1 (lupeol);Lupenol
Molecular Formula C30H50O
Molecular Weight 426.73
CAS Registry Number 545-47-1
SMILES C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ebenaceae Euclea undulata Barks 1.162791% J Ethnopharmacol. 2011. 133, 1091-1095. 10.1016/j.jep.2010.11.038
Asteraceae Vernonia brasiliana Leaves 0.433333% Planta Med 63, 554-555 (1997). 10.1055/s-2006-957764
Asteraceae Ligularia intermedia Roots 0.010000% Planta Med 63(6): 573-574. 10.1055/s-2006-957773
Fabaceae Piptadeniastrum africanum Barks 0.007513% Brenan. Chem Biodivers. 2017. 18. 10.1002/cbdv.201600215
Clusiaceae Garcinia hombroniana Barks 0.000385% Bioorg Chem . 2014 Jun;54:60-7 10.1016/j.bioorg.2014.04.003
Asteraceae Ligularia odontomanes Whole plants 0.000313% Chem Pharm Bull (Tokyo). 2007. 55, 577-579. 10.1248/cpb.55.577
Rhamnaceae Gouania longipetala Aerial parts 0.000273% Nat Prod Res. 2019. 1-12. 10.1080/14786419.2019.1690483.
Fabaceae Caesalpinia mimosoides Fruits 0.000079% Nat Prod Res 32, 875-879 (2018). 10.1080/14786419.2017.1365070
Properties
HBA 1 HBD 1
HeavyAtoms 31 AlogP 8.02
TPSA 20.23 RotatableBonds 1
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5