17-(5-ethyl-6-methylhept-3-en-2-yl)-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Internal ID | 3ab53de1-8b22-447b-bbf8-e9a05a05c08a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives |
| IUPAC Name | 17-(5-ethyl-6-methylhept-3-en-2-yl)-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H52O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h9-10,19-28,31H,8,11-18H2,1-7H3 |
| InChI Key | HSWOGZWSFVSUII-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O |
| Molecular Weight | 428.70 g/mol |
| Exact Mass | 428.401816278 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.80 |
| There are no found synonyms. |
![2D Structure of 17-(5-ethyl-6-methylhept-3-en-2-yl)-4,10,13-trimethyl-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/af77c660-881f-11ee-930d-97455116ae71.jpg "2D Structure of 17-(5-ethyl-6-methylhept-3-en-2-yl)-4,10,13-trimethyl-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.13% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.55% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.99% | 90.17% |
| CHEMBL236 | P41143 | Delta opioid receptor | 95.59% | 99.35% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 89.70% | 98.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.63% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.65% | 96.38% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.07% | 92.86% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.81% | 95.93% |
| CHEMBL268 | P43235 | Cathepsin K | 87.76% | 96.85% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.56% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.55% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.03% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.82% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.74% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.19% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.19% | 100.00% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.29% | 95.58% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 84.25% | 97.64% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.66% | 96.77% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.01% | 96.43% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.82% | 82.69% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.67% | 97.50% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.33% | 99.18% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.33% | 98.03% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.30% | 98.75% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.04% | 97.79% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.87% | 97.47% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 80.73% | 100.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 80.53% | 95.92% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 80.50% | 95.36% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.26% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.03% | 93.56% |
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 | 634700 |
| LOTUS | LTS0072800 |
| wikiData | Q105033293 |