17-[5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4,6,15-tetrol
| Internal ID | 753b1a58-5673-4312-88f3-f4ef3adc532b |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Bile acids, alcohols and derivatives > Hydroxy bile acids, alcohols and derivatives |
| IUPAC Name | 17-[5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4,6,15-tetrol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H50O6/c1-15(2)28(34,14-29)11-6-16(3)19-13-22(32)23-17-12-21(31)24-25(33)20(30)8-10-26(24,4)18(17)7-9-27(19,23)5/h15-25,29-34H,6-14H2,1-5H3 |
| InChI Key | UIFHHMHOQPQDQO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H50O6 |
| Molecular Weight | 482.70 g/mol |
| Exact Mass | 482.36073931 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 17-[5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4,6,15-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/78dcc410-86e5-11ee-98a8-bd6fc631e212.jpg "2D Structure of 17-[5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4,6,15-tetrol")
| 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 | 98.95% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.21% | 96.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 97.44% | 98.10% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 97.34% | 95.58% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.10% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.59% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.94% | 95.93% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 93.79% | 89.05% |
| CHEMBL236 | P41143 | Delta opioid receptor | 93.19% | 99.35% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.42% | 98.95% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 91.09% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.90% | 82.69% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 89.54% | 87.16% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 88.84% | 98.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.80% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.15% | 96.61% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 88.15% | 95.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.65% | 94.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.62% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.31% | 92.86% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 86.25% | 95.42% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.92% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.65% | 100.00% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 84.78% | 92.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.55% | 95.89% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.47% | 89.63% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.75% | 98.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.66% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.31% | 100.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 83.01% | 97.23% |
| CHEMBL238 | Q01959 | Dopamine transporter | 82.16% | 95.88% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.81% | 90.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.81% | 90.08% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.64% | 97.64% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 81.39% | 88.81% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.38% | 93.56% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 80.86% | 95.36% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.69% | 85.14% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 80.63% | 97.31% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.51% | 96.77% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.44% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.04% | 91.03% |
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.
| There are no matching plants. |
| PubChem | 72817631 |
| LOTUS | LTS0084428 |
| wikiData | Q105273340 |