17-(6-Hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,15,16-pentol
| Internal ID | a5b0a93b-45f0-4ad5-abab-6478183e347d |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Bile acids, alcohols and derivatives > Hydroxy bile acids, alcohols and derivatives |
| IUPAC Name | 17-(7-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,15,16-pentol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H48O6/c1-15(14-28)6-5-7-16(2)21-23(31)24(32)22-18-12-20(30)27(33)13-17(29)8-11-26(27,4)19(18)9-10-25(21,22)3/h15-24,28-33H,5-14H2,1-4H3 |
| InChI Key | CLNZRUHMYVMUAU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H48O6 |
| Molecular Weight | 468.70 g/mol |
| Exact Mass | 468.34508925 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 3.20 |
| Cholestane-3,5,6,15,16,26-hexol |
| 17-(6-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,15,16-pentol |
![2D Structure of 17-(6-Hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,15,16-pentol](https://plantaedb.com/storage/docs/compounds/2023/11/f811a7a0-8543-11ee-a454-f544b3ba633e.jpg "2D Structure of 17-(6-Hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,15,16-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.56% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.51% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.18% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.41% | 97.25% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 94.40% | 95.58% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 93.75% | 92.98% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 92.53% | 97.64% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.08% | 82.69% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 91.89% | 89.05% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.75% | 92.86% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.37% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.63% | 97.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.65% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.19% | 97.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 87.89% | 98.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.57% | 91.11% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.27% | 96.43% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.23% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.14% | 98.95% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 87.03% | 95.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 87.02% | 98.05% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.91% | 98.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.52% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.46% | 95.89% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 84.87% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 84.66% | 98.33% |
| CHEMBL238 | Q01959 | Dopamine transporter | 84.48% | 95.88% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.72% | 96.38% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 83.40% | 92.50% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.07% | 96.77% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 83.06% | 96.00% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 83.05% | 95.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.47% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.38% | 96.21% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.93% | 95.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.70% | 96.90% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 81.36% | 97.86% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.06% | 100.00% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 80.19% | 97.56% |
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 | 495378 |
| LOTUS | LTS0204307 |
| wikiData | Q104963709 |