TPCN03537

[object Object]
Name Oleanolic;Oleanolic acid;Saponin 3
Molecular Formula C30H48O3
Molecular Weight 456.71
CAS Registry Number 508-02-1
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Eriope blanchetii Aerial parts 0.104167% Biol Pharm Bull 29(1): 82-85. 10.1248/bpb.29.82
Lamiaceae Eriope blanchetii Aerial parts 0.053118% Molecules. 2012. 17, 12197-12205. 10.3390/molecules171012197.
Caprifoliaceae Sambucus australis Aerial parts 0.041364% Chem Biol Interact. 2010. 185, 59-65. 10.1016/j.cbi.2010.02.028
Melastomataceae Miconia ligustroides Aerial parts 0.036400% Pharm Biol. 2010 Feb;48(2):166-10. 10.3109/13880200903062648
Eucommiaceae Eucommia ulmoides Leaves 0.022500% Molecules 17(12): 13960-13968. 10.3390/molecules171213960
Fabaceae Piptadeniastrum africanum Barks 0.011452% Brenan. Chem Biodivers. 2017. 17. 10.1002/cbdv.201600215
Ericaceae Rhododendron dauricum Leaves 0.001494% Nat Prod Res: 1-7. 10.1080/14786419.2019.1566822
Lamiaceae Salvia syriaca Roots 0.000946% Planta Medica 66 (2000) 627±629 10.1055/s-2000-8629
Caprifoliaceae Patrinia scabiosaefoli Roots 0.000900% Arch Pharm Res, 2001, 24, 416-417. 10.1007/bf02975186
Lythraceae Lagerstroemia speciosa Leaves 0.000760% Phytother Res . 2009 May;23(5):614-8 10.1002/ptr.2661
Asteraceae Aster oharai Aerial parts 0.000600% Arch Pharm Res 26(7): 521-525.(2003) 10.1007/bf02976874
Stilbaceae Nuxia oppositifolia Aerial parts 0.000556% Molecules 22, (2017) 10.3390/molecules22030389
Rosaceae Chaenomeles sinensis Fruits 0.000500% Planta Med 69(4): 327-331. 10.1055/s-2003-38884
Sapindaceae Xanthoceras sorbifolia Hooks 0.000500% J Asian Nat Prod Res 14, 216-223 (2012) 10.1080/10286020.2011.641954
Ranunculaceae Clematis chinensis Roots 0.000357% Phytochemistry. 1995 Apr;38(6):1473-9. 10.1016/0031-9422(94)00899-5.
Oleaceae Olea europaea Leaves 0.000300% Chem Pharm Bull (Tokyo). 2007 May;55(5):784-8. 10.1248/cpb.55.784.
Rubiaceae Crossopteryx febrifuga Barks 0.000233% Z Naturforsch C J Biosci . 2019 Nov 26;74(11-12):289-293 10.1515/znc-2019-0113
Rubiaceae Luculia pinciana Stems 0.000215% J Asian Nat Prod Res . 2005 Feb;7(1):91-4 10.1080/10286020310001608967
Rosaceae Chaenomeles speciosa Fruits 0.000200% J Asian Nat Prod Res. 2008 Mar-Apr;10(3-4):217-22. 10.1080/10286020701395370.
Verbenaceae Verbena littoralis Aerial parts 0.000168% J Nat Prod 66(5): 696-698. 10.1021/np020577p
Aquifoliaceae Ilex rotunda Barks 0.000156% Chem Biodivers 14(2). 10.1002/cbdv.201600209
Urticaceae Pilea cavaleriei Whole plants 0.000100% J Asian Nat Prod Res. 2012;14(11):1032-8. 10.1080/10286020.2012.702760.
Myrtaceae Psidium guajava Leaves 0.000075% Nat Prod Res 21, 742-748 (2007). 10.1080/14786410601083712
Malvaceae Hibiscus tiliaceus Barks 0.000070% Magn Reson Chem 44(6): 624-628. 10.1002/mrc.1802
Bignoniaceae Incarvillea delavayi Whole plants 0.000010% Nat Prod Res 24(10): 915-919(2010) 10.1080/14786410802421026
Properties
HBA 3 HBD 2
HeavyAtoms 33 AlogP 7.23
TPSA 57.53 RotatableBonds 1
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5