15-(5,6-Dimethylheptan-2-yl)-6,11-dihydroxy-9,16-dimethyl-3-oxapentacyclo[9.7.0.02,4.04,9.012,16]octadecan-10-one
| Internal ID | ef57843c-ded8-45dd-bd2b-0689c0273cb3 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids |
| IUPAC Name | 15-(5,6-dimethylheptan-2-yl)-6,11-dihydroxy-9,16-dimethyl-3-oxapentacyclo[9.7.0.02,4.04,9.012,16]octadecan-10-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H46O4/c1-16(2)17(3)7-8-18(4)20-9-10-22-25(20,5)13-12-21-23-27(32-23)15-19(29)11-14-26(27,6)24(30)28(21,22)31/h16-23,29,31H,7-15H2,1-6H3 |
| InChI Key | ORJCVBFQWXNRJY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H46O4 |
| Molecular Weight | 446.70 g/mol |
| Exact Mass | 446.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 70.10 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 15-(5,6-Dimethylheptan-2-yl)-6,11-dihydroxy-9,16-dimethyl-3-oxapentacyclo[9.7.0.02,4.04,9.012,16]octadecan-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/5f9383b0-8712-11ee-b6b4-5f186b3933a7.jpg "2D Structure of 15-(5,6-Dimethylheptan-2-yl)-6,11-dihydroxy-9,16-dimethyl-3-oxapentacyclo[9.7.0.02,4.04,9.012,16]octadecan-10-one")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.01% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.58% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.59% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.99% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.99% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.40% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.34% | 97.09% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.14% | 97.28% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.94% | 96.77% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.48% | 90.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.99% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.90% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.67% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.65% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.16% | 95.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.20% | 98.03% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.01% | 95.93% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 82.94% | 92.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.27% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.01% | 92.62% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.30% | 93.04% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.91% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.41% | 86.33% |
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.
| There are no matching plants. |
| PubChem | 162843391 |
| LOTUS | LTS0227294 |
| wikiData | Q104193669 |