17-(7-Hydroxy-6-methyl-5-methylideneheptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15,16-pentol
| Internal ID | 203202aa-0681-44e2-aded-a47b494b348c |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Bile acids, alcohols and derivatives > Hydroxy bile acids, alcohols and derivatives > Pentahydroxy bile acids, alcohols and derivatives |
| IUPAC Name | 17-(7-hydroxy-6-methyl-5-methylideneheptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15,16-pentol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H48O6/c1-15(17(3)14-29)6-7-16(2)22-23(32)24(33)25-27(22,5)11-9-21-26(4)10-8-18(30)12-19(26)20(31)13-28(21,25)34/h16-25,29-34H,1,6-14H2,2-5H3 |
| InChI Key | RFMGKGFJXNLBSR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H48O6 |
| Molecular Weight | 480.70 g/mol |
| Exact Mass | 480.34508925 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 17-(7-Hydroxy-6-methyl-5-methylideneheptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15,16-pentol](https://plantaedb.com/storage/docs/compounds/2023/11/4489e0a0-874e-11ee-8cdf-23c54acb8816.jpg "2D Structure of 17-(7-Hydroxy-6-methyl-5-methylideneheptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15,16-pentol")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.51% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.21% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.65% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 95.42% | 97.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.37% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.82% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.66% | 95.93% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 94.57% | 97.64% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 94.49% | 98.10% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 93.49% | 95.58% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.17% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.04% | 82.69% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.80% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.24% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.52% | 96.47% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.36% | 91.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.28% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.39% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.56% | 98.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.25% | 95.89% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.02% | 89.05% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 87.02% | 92.50% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 86.95% | 83.10% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.95% | 92.86% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 86.77% | 94.45% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 86.35% | 96.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.67% | 95.89% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.38% | 98.05% |
| CHEMBL238 | Q01959 | Dopamine transporter | 84.41% | 95.88% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.39% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.74% | 100.00% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 83.61% | 99.00% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 83.50% | 95.36% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.26% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.45% | 94.75% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 82.29% | 100.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.12% | 93.18% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.98% | 99.35% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.67% | 95.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.31% | 91.24% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.16% | 96.38% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.08% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.01% | 98.33% |
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 | 13990000 |
| LOTUS | LTS0072927 |
| wikiData | Q105235485 |