(3S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
| Internal ID | 9eeb09a5-0c6a-4ab6-b047-328ba741af71 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | (3S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | CC1=CC2=C(CCC3(C2CCC3C(C)C=CC(C)C(C)C)C)C4=C1CC(CC4)O |
| SMILES (Isomeric) | CC1=CC2=C(CC[C@]3([C@H]2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)C)C)C4=C1C[C@H](CC4)O |
| InChI | InChI=1S/C28H42O/c1-17(2)18(3)7-8-19(4)26-11-12-27-25-15-20(5)24-16-21(29)9-10-22(24)23(25)13-14-28(26,27)6/h7-8,15,17-19,21,26-27,29H,9-14,16H2,1-6H3/t18-,19+,21-,26+,27-,28+/m0/s1 |
| InChI Key | AMDWTHRIQMHZKU-YFSHETMVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H42O |
| Molecular Weight | 394.60 g/mol |
| Exact Mass | 394.323565959 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
![2D Structure of (3S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/170c0920-8735-11ee-9361-ddb877e9dea1.jpg "2D Structure of (3S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.71% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.51% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.92% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.22% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.35% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.17% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.74% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.37% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.83% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.91% | 91.07% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.74% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.65% | 94.45% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 84.80% | 99.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.46% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.12% | 97.25% |
| CHEMBL5028 | O14672 | ADAM10 | 82.85% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.26% | 89.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.03% | 100.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.87% | 99.18% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.45% | 90.24% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 81.40% | 93.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.94% | 96.47% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163006061 |
| LOTUS | LTS0079532 |
| wikiData | Q104914567 |