4-[[17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenol
| Internal ID | 4fdfb37c-18f6-4f1b-9539-f03d0f2c35f7 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives |
| IUPAC Name | 4-[[17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenol |
| SMILES (Canonical) | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5=CC=C(C=C5)O)C)C)C(C)C |
| SMILES (Isomeric) | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5=CC=C(C=C5)O)C)C)C(C)C |
| InChI | InChI=1S/C35H52O2/c1-7-25(23(2)3)9-8-24(4)31-16-17-32-30-15-10-26-22-29(37-28-13-11-27(36)12-14-28)18-20-34(26,5)33(30)19-21-35(31,32)6/h8-14,23-25,29-33,36H,7,15-22H2,1-6H3 |
| InChI Key | GEHMCZDZAWKQOZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H52O2 |
| Molecular Weight | 504.80 g/mol |
| Exact Mass | 504.396730897 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 10.60 |
| There are no found synonyms. |
![2D Structure of 4-[[17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/cf4a8f00-85ba-11ee-a168-09f939d1590a.jpg "2D Structure of 4-[[17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenol")
| 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 |
|---|---|---|---|---|
| CHEMBL242 | Q92731 | Estrogen receptor beta | 99.39% | 98.35% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.33% | 96.09% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 98.02% | 97.64% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.80% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.36% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.26% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.16% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.89% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 95.54% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.34% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.47% | 95.89% |
| CHEMBL240 | Q12809 | HERG | 89.74% | 89.76% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.39% | 93.56% |
| CHEMBL4072 | P07858 | Cathepsin B | 88.15% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.13% | 95.56% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.42% | 99.35% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.07% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.51% | 99.17% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.21% | 85.31% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.76% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.34% | 86.33% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 83.20% | 94.97% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.97% | 82.69% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.60% | 97.79% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.34% | 98.59% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.61% | 95.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.33% | 90.71% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.27% | 91.71% |
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.
| Dryopteris cycadina |
| Phlomis cashmeriana |
| PubChem | 162871945 |
| LOTUS | LTS0167527 |
| wikiData | Q105249195 |