Corosolic acid
| Internal ID | 66811435-a9fc-45eb-aed4-8da1e8a2e789 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| SMILES (Canonical) | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O |
| SMILES (Isomeric) | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O |
| InChI | InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
| InChI Key | HFGSQOYIOKBQOW-ZSDYHTTISA-N |
| Popularity | 159 references in papers |
| Molecular Formula | C30H48O4 |
| Molecular Weight | 472.70 g/mol |
| Exact Mass | 472.35526001 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 6.40 |
| 4547-24-4 |
| Glucosol |
| Corsolic acid |
| Colosic acid |
| 2alpha-Hydroxyursolic acid |
| 2-alpha-Hydroxyursolic acid |
| Corosolic-acid |
| UNII-AMX2I57A98 |
| Colosolic acid |
| AMX2I57A98 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 |
810 nM 810 nM |
IC50 IC50 |
PMID: 20100662
via Super-PRED |
| CHEMBL2392 | P06746 | DNA polymerase beta |
12600 nM |
IC50 |
PMID: 15165161
|
| CHEMBL5514 | P42858 | Huntingtin |
12589.3 nM |
Potency |
via CMAUP
|
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B |
5490 nM 5490 nM 5490 nM |
IC50 IC50 IC50 |
DOI: 10.1007/s00044-010-9529-5
DOI: 10.1007/s00044-010-9529-5 PMID: 18707891 |
| CHEMBL3166 | P29350 | Protein-tyrosine phosphatase 1C |
24560 nM |
IC50 |
PMID: 18707891
|
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase |
11310 nM |
IC50 |
PMID: 18707891
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.53% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.84% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.70% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.26% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.94% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.88% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.27% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.24% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.84% | 98.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.73% | 85.30% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.26% | 93.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| PubChem | 6918774 |
| NPASS | NPC71074 |
| ChEMBL | CHEMBL391533 |
| LOTUS | LTS0231285 |
| wikiData | Q5172335 |