7-Ethenyl-1-(hydroxymethyl)-1,4b,7-trimethyl-2,3,4,4a,5,6,8,8a,9,10-decahydrophenanthrene-2,10a-diol
| Internal ID | 78c0823a-8a3f-477e-a813-fecd7b76fa94 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids |
| IUPAC Name | 7-ethenyl-1-(hydroxymethyl)-1,4b,7-trimethyl-2,3,4,4a,5,6,8,8a,9,10-decahydrophenanthrene-2,10a-diol |
| SMILES (Canonical) | CC1(CCC2(C(C1)CCC3(C2CCC(C3(C)CO)O)O)C)C=C |
| SMILES (Isomeric) | CC1(CCC2(C(C1)CCC3(C2CCC(C3(C)CO)O)O)C)C=C |
| InChI | InChI=1S/C20H34O3/c1-5-17(2)10-11-18(3)14(12-17)8-9-20(23)15(18)6-7-16(22)19(20,4)13-21/h5,14-16,21-23H,1,6-13H2,2-4H3 |
| InChI Key | ZARKXXVUJFPNPY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O3 |
| Molecular Weight | 322.50 g/mol |
| Exact Mass | 322.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
| 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 | 94.71% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.53% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.62% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.46% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.04% | 90.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.71% | 92.86% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 87.60% | 94.66% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.53% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.24% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.22% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.05% | 82.69% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.61% | 95.50% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.44% | 95.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.41% | 97.09% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 85.08% | 92.38% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.91% | 91.03% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.72% | 90.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.42% | 100.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 84.35% | 97.64% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 83.51% | 85.49% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.97% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.89% | 98.95% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 82.27% | 95.52% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.93% | 97.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.57% | 100.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 81.43% | 98.35% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.06% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.99% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.89% | 96.61% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 80.71% | 97.34% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.42% | 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.
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| There are no matching plants. |
| PubChem | 163000081 |
| LOTUS | LTS0075087 |
| wikiData | Q105370077 |