[6-Hydroxy-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-4-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
| Internal ID | 0f4e81cc-54e8-4b1d-b5a8-e6189e65e871 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [6-hydroxy-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-4-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate |
| SMILES (Canonical) | CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C)O)OC(=O)C)C)C |
| SMILES (Isomeric) | CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C)O)OC(=O)C)C)C |
| InChI | InChI=1S/C32H52O3/c1-20(2)10-9-11-21(3)23-14-15-30(8)25-13-12-24-28(5,6)26(34)18-27(35-22(4)33)32(24)19-31(25,32)17-16-29(23,30)7/h10,21,23-27,34H,9,11-19H2,1-8H3 |
| InChI Key | VIASXDQRTRRXGB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H52O3 |
| Molecular Weight | 484.80 g/mol |
| Exact Mass | 484.39164552 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 9.20 |
| There are no found synonyms. |
![2D Structure of [6-Hydroxy-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-4-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/d3dec400-8604-11ee-95b9-c12e6c04ce19.jpg "2D Structure of [6-Hydroxy-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-4-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.06% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.55% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.72% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.27% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.08% | 91.11% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 90.37% | 95.69% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.15% | 96.95% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 90.04% | 95.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.25% | 97.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.68% | 91.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.74% | 98.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.53% | 89.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.21% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.94% | 93.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.86% | 92.62% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.40% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.10% | 95.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.00% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.54% | 95.71% |
| CHEMBL3837 | P07711 | Cathepsin L | 83.30% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.96% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.47% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.42% | 95.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.37% | 98.75% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.81% | 94.62% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.68% | 91.07% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.68% | 82.69% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.24% | 96.38% |
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.
| Commiphora kua |
| PubChem | 14191330 |
| LOTUS | LTS0185764 |
| wikiData | Q105286727 |