[7,7,12,16-Tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 39029188-09a5-441a-bd2a-5d89c0b2453c |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C39H56O3/c1-26(2)9-8-10-27(3)30-19-21-37(7)32-17-16-31-35(4,5)33(42-34(41)18-13-28-11-14-29(40)15-12-28)20-22-38(31)25-39(32,38)24-23-36(30,37)6/h9,11-15,18,27,30-33,40H,8,10,16-17,19-25H2,1-7H3 |
| InChI Key | BSGZHCCUCNRPFU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H56O3 |
| Molecular Weight | 572.90 g/mol |
| Exact Mass | 572.42294564 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 12.10 |
| There are no found synonyms. |
![2D Structure of [7,7,12,16-Tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/26a1be40-860d-11ee-91c7-214822447a4d.jpg "2D Structure of [7,7,12,16-Tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 3-(4-hydroxyphenyl)prop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.50% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.71% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.33% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.53% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.50% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.00% | 95.56% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 90.96% | 97.64% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.55% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.40% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.08% | 93.99% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.92% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.59% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.72% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.05% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.82% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.59% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.43% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.13% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.64% | 93.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.26% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.66% | 90.71% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.45% | 94.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.27% | 99.17% |
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.
| Arundina graminifolia |
| PubChem | 162938657 |
| LOTUS | LTS0094208 |
| wikiData | Q104945246 |