Showing entry for Carnosic Acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0039306
Compound NameCarnosic Acid
Structure
FormulaC20H28O4
InchiKeyQRYRORQUOLYVBU-VBKZILBWSA-N
SMILESOC(=O)[C@@]12CCCC([C@@H]2CCc2c1c(O)c(c(c2)C(C)C)O)(C)C
InchiInChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/t14-,20+/m0/s1
IUPAC(4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
Molecular Weight332.2
Pubchem Id65126
Chembl IdCHEMBL484853
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 50371232
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 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 4300 - - -
reviewed BXGT007738 Cytochrome P450 2C9 reviewed CYP2C9 9200 - - -
reviewed BXGT008208 Pancreatic triacylglycerol lipase reviewed Enzyme PNLIP - 36000 - -
CHEMBL CHEMBL484853
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
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 3548 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Inhibition '<' 11 %
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 8912 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Inhibition '<' 11 %
P0A0J7 BXGT006970 Quinolone resistance protein NorA reviewed - norA FC '=' 2 -
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 Inhibition '<' 11 %
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 25118 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 2639 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 1412 nM
P18054 BXGT008370 Arachidonate 12-lipoxygenase, 12S-type reviewed Enzyme ALOX12 Potency '=' 1995 nM
Q9YQ12 BXGT022394 Protease unreviewed - protease IC90 '=' 0 ug.mL-1
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 14125 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 22387 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 22387 nM
P80209 BXGT011885 Cathepsin D reviewed - CTSD Activity - - -
Q9YQ12 BXGT022394 Protease unreviewed - protease IC50 '=' 240 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 15848 nM
O14684 BXGT004082 Prostaglandin E synthase reviewed - PTGES IC50 '=' 5000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 9976 nM
P0A0J7 BXGT006970 Quinolone resistance protein NorA reviewed - norA MIC '=' 2 ug.mL-1
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 35481 nM
P16233 BXGT008208 Pancreatic triacylglycerol lipase reviewed Enzyme PNLIP IC50 '=' 36000 nM
O15296 BXGT004148 Arachidonate 15-lipoxygenase B reviewed Enzyme ALOX15B Potency - 354 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 10000 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 15848 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Ki '=' 4300 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Ki '=' 9200 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Inhibition '<' 11 %
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Inhibition '<' 11 %
P05181 BXGT006337 Cytochrome P450 2E1 reviewed - CYP2E1 Inhibition '<' 11 %
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 19952 nM
O00512 BXGT003933 B-cell CLL/lymphoma 9 protein reviewed - BCL9 Ki '=' 5300 nM
P35222 BXGT009799 Catenin beta-1 reviewed - CTNNB1 Ki '=' 5300 nM
P10632 BXGT007592 Cytochrome P450 2C8 reviewed - CYP2C8 Inhibition '<' 11 %
P78417 BXGT011843 Glutathione S-transferase omega-1 reviewed - GSTO1 IC50 '=' 62000 nM
P20813 BXGT008603 Cytochrome P450 2B6 reviewed - CYP2B6 Inhibition '<' 11 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00159 Rosemary Rosmarinus officinalis Herbs and Spices
BXGF00165 Common sage Salvia officinalis Herbs and Spices
BXGF00183 Common thyme Thymus vulgaris Herbs and Spices
BXGF01317 Acer pictum subsp. okamotoanum Acer pictum subsp. okamotoanum Medicinal Plant
BXGF01506 Thymus quinquecostatus Thymus quinquecostatus Medicinal Plant
BXGF01616 Senecio fuertesii Senecio fuertesii Others
BXGF01712 Aspilia hispida Aspilia hispida Others
BXGF02384 Verbesina virgata Verbesina virgata Others
BXGF02398 Dalea versicolor Dalea versicolor Others
BXGF02452 Alstonia yunnanensis Alstonia yunnanensis Medicinal Plant
BXGF02552 Sideritis cystosiphon Sideritis cystosiphon Others
BXGF02614 Isodon adenolomus Isodon adenolomus Others
BXGF02668 Stachys tuberifera Stachys tuberifera Medicinal Plant
BXGF02683 Tylophora atrofolliculata Tylophora atrofolliculata Medicinal Plant
BXGF02719 Achyrocline bogotensis Achyrocline bogotensis Others
BXGF02865 Dasymaschalon blumei Dasymaschalon blumei Others
BXGF02910 Chamaemelum fuscatum Chamaemelum fuscatum Others
BXGF02926 Scutellaria albida Scutellaria albida Medicinal Plant
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