Ambolic acid
| Internal ID | 324bad33-c12c-49bf-8b87-dd12eff953bd |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methyl-3-methylideneheptanoic acid |
| SMILES (Canonical) | CC(CCC(=C)C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C |
| SMILES (Isomeric) | CC(CCC(=C)C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C |
| InChI | InChI=1S/C31H50O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-25,32H,1,8-18H2,2-7H3,(H,33,34) |
| InChI Key | FCQSIIVNJCMJLB-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C31H50O3 |
| Molecular Weight | 470.70 g/mol |
| Exact Mass | 470.37599545 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 9.20 |
| CHEBI:175693 |
| 3b-Hydroxy-24-methylene-25R-cycloartan-26-oic acid |
| 6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methyl-3-methylideneheptanoic acid |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.20% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.54% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.69% | 98.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 92.33% | 93.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.29% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.83% | 90.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.72% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.89% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.77% | 95.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.41% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.34% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.97% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.91% | 91.19% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.10% | 98.10% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.57% | 96.47% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.17% | 90.24% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.74% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.53% | 97.93% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.37% | 83.82% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 82.18% | 94.45% |
| CHEMBL3837 | P07711 | Cathepsin L | 81.80% | 96.61% |
| CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 81.73% | 82.05% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.52% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.63% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.27% | 95.56% |
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.
| Mangifera indica |
| PubChem | 78385010 |
| LOTUS | LTS0235256 |
| wikiData | Q104993286 |