10,13-dimethyl-17-[4-(2-methylcyclopropyl)but-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Internal ID | b0518bc3-7a73-447d-89d7-55e35fb39288 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | 10,13-dimethyl-17-[4-(2-methylcyclopropyl)but-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | CC1CC1C=CC(C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C |
| SMILES (Isomeric) | CC1CC1C=CC(C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C |
| InChI | InChI=1S/C27H42O/c1-17(5-6-19-15-18(19)2)23-9-10-24-22-8-7-20-16-21(28)11-13-26(20,3)25(22)12-14-27(23,24)4/h5-7,17-19,21-25,28H,8-16H2,1-4H3 |
| InChI Key | HKPWFXFDARLLFG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H42O |
| Molecular Weight | 382.60 g/mol |
| Exact Mass | 382.323565959 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 7.30 |
| There are no found synonyms. |
![2D Structure of 10,13-dimethyl-17-[4-(2-methylcyclopropyl)but-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/b630cef0-8485-11ee-940e-d116aeaae973.jpg "2D Structure of 10,13-dimethyl-17-[4-(2-methylcyclopropyl)but-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol")
| 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 | 96.65% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.63% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.00% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.71% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.54% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.00% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.50% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.40% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.18% | 91.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.19% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.56% | 82.69% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.37% | 90.71% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.70% | 98.10% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.14% | 85.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.07% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.39% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.95% | 96.43% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.84% | 95.58% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.54% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.28% | 95.89% |
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 | 73189154 |
| LOTUS | LTS0213354 |
| wikiData | Q105029854 |