(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Internal ID | 6b3245c8-2536-4990-813b-b531842d957a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Pregnane steroids > Gluco/mineralocorticoids, progestogins and derivatives |
| IUPAC Name | (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | CC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C |
| SMILES (Isomeric) | CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C |
| InChI | InChI=1S/C22H38O/c1-14(2)18-7-8-19-17-6-5-15-13-16(23)9-11-21(15,3)20(17)10-12-22(18,19)4/h14-20,23H,5-13H2,1-4H3/t15-,16-,17-,18+,19-,20-,21-,22+/m0/s1 |
| InChI Key | JUWNKDSIYSVDGY-BPNMPVEJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H38O |
| Molecular Weight | 318.50 g/mol |
| Exact Mass | 318.292265831 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/4f8d0c30-852d-11ee-92bb-0f71ea73d75a.jpg "2D Structure of (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.03% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.26% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.29% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.81% | 100.00% |
| CHEMBL238 | Q01959 | Dopamine transporter | 90.29% | 95.88% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.50% | 82.69% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.44% | 96.43% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 88.63% | 95.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.05% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.25% | 97.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.06% | 98.10% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 86.57% | 85.31% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.53% | 90.17% |
| CHEMBL204 | P00734 | Thrombin | 85.23% | 96.01% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.15% | 95.89% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 84.91% | 98.46% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 83.97% | 98.35% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.59% | 89.05% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.57% | 95.93% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.50% | 91.03% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.23% | 99.18% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.33% | 91.11% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 82.16% | 96.03% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.29% | 92.86% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 80.76% | 95.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.74% | 90.71% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 80.40% | 93.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.32% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.09% | 93.04% |
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.
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| There are no matching plants. |
| PubChem | 163049180 |
| LOTUS | LTS0039779 |
| wikiData | Q105135473 |