Showing entry for Ursolic acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0007434
Compound NameUrsolic acid
Structure
FormulaC30H48O3
InchiKeyWCGUUGGRBIKTOS-JJWDWEPMSA-N
SMILES[H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O
InchiInChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,23+,24+,27+,28-,29-,30+/m1/s1
IUPAC(1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Molecular Weight456.7
Pubchem Id13073350
Chembl Id
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 23197
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT005553 Glycogen phosphorylase, muscle form reviewed PYGM - 9000 - -
reviewed BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed PTPN1 - 3200 - -
CHEMBL n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00076 Loquat Eriobotrya japonica Fruits
BXGF00089 Hyssop Hyssopus officinalis Herbs and Spices
BXGF00105 Apple Malus pumila Fruits
BXGF00108 Lemon balm Melissa officinalis Herbs and Spices
BXGF00112 Spearmint Mentha spicata Herbs and Spices
BXGF00119 Sweet basil Ocimum basilicum Herbs and Spices
BXGF00121 Olive Olea europaea Vegetables
BXGF00122 Sweet marjoram Origanum majorana Herbs and Spices
BXGF00124 Common oregano Origanum vulgare Herbs and Spices
BXGF00145 Sweet cherry Prunus avium Fruits
BXGF00146 Sour cherry Prunus cerasus Fruits
BXGF00149 Peach Prunus persica Fruits
BXGF00150 Guava Psidium guajava Fruits
BXGF00151 Pomegranate Punica granatum Fruits
BXGF00152 Pear Pyrus communis Fruits
BXGF00159 Rosemary Rosmarinus officinalis Herbs and Spices
BXGF00165 Common sage Salvia officinalis Herbs and Spices
BXGF00166 Black elderberry Sambucus nigra Fruits
BXGF00167 Summer savory Satureja hortensis Herbs and Spices
BXGF00168 Winter savory Satureja montana Herbs and Spices
BXGF00183 Common thyme Thymus vulgaris Herbs and Spices
BXGF00191 Highbush blueberry Vaccinium corymbosum Fruits
BXGF00192 American cranberry Vaccinium macrocarpon Fruits
BXGF00193 Bilberry Vaccinium myrtillus Fruits
BXGF00196 Common verbena Verbena officinalis Herbs and Spices
BXGF00204 Common grape Vitis vinifera Fruits
BXGF00317 Malus (Crab apple) Malus Fruits
BXGF00351 Jackfruit Artocarpus heterophyllus Fruits
BXGF00808 Pomes Fruits
BXGF00823 Fruits Fruits
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease