10,13-dimethyl-17-(6-methylhept-3-en-2-yl)-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
| Internal ID | c38bc61b-e2dd-474a-a03c-f00849d61701 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | 10,13-dimethyl-17-(6-methylhept-3-en-2-yl)-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h6,8,17-18,20-24H,7,9-16H2,1-5H3 |
| InChI Key | XVAXPYFGRPUHGO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H42O2 |
| Molecular Weight | 398.60 g/mol |
| Exact Mass | 398.318480578 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 10,13-dimethyl-17-(6-methylhept-3-en-2-yl)-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/c48f4a70-86ed-11ee-8519-d3b977682d53.jpg "2D Structure of 10,13-dimethyl-17-(6-methylhept-3-en-2-yl)-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.87% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.95% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.25% | 98.95% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 93.23% | 97.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.99% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.50% | 96.38% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 92.47% | 85.31% |
| CHEMBL236 | P41143 | Delta opioid receptor | 91.72% | 99.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.86% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.68% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.36% | 100.00% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.94% | 95.58% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.72% | 89.34% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.98% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.93% | 96.47% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.48% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.39% | 94.45% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.05% | 98.10% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.53% | 85.11% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.51% | 95.71% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.67% | 99.18% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.25% | 90.71% |
| CHEMBL228 | P31645 | Serotonin transporter | 82.64% | 95.51% |
| CHEMBL3837 | P07711 | Cathepsin L | 82.61% | 96.61% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.55% | 98.03% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.49% | 96.43% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.23% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.08% | 97.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.65% | 93.00% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 80.61% | 92.12% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.50% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.04% | 93.31% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162892567 |
| LOTUS | LTS0079065 |
| wikiData | Q105342761 |