(6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-1-ol
| Internal ID | 3c210a4e-9d60-45fd-b21e-f4d2ac3d3846 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Bile acids, alcohols and derivatives > Hydroxy bile acids, alcohols and derivatives > Monohydroxy bile acids, alcohols and derivatives |
| IUPAC Name | (6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-1-ol |
| SMILES (Canonical) | CC(CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C)CO |
| SMILES (Isomeric) | C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCCC4)C)C |
| InChI | InChI=1S/C27H48O/c1-19(18-28)8-7-9-20(2)23-13-14-24-22-12-11-21-10-5-6-16-26(21,3)25(22)15-17-27(23,24)4/h19-25,28H,5-18H2,1-4H3/t19?,20-,21?,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChI Key | QOEFTSGHAKDUAA-GIAGXXIISA-N |
| Popularity | 871 references in papers |
| Molecular Formula | C27H48O |
| Molecular Weight | 388.70 g/mol |
| Exact Mass | 388.370516150 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.70 |
| QOEFTSGHAKDUAA-GIAGXXIISA-N |
![2D Structure of (6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/549cc230-81f9-11ee-bcc8-2d66efbea3f4.jpg "2D Structure of (6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-1-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL237 | P41145 | Kappa opioid receptor | 97.84% | 98.10% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.62% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.80% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 95.28% | 97.93% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.89% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.94% | 94.45% |
| CHEMBL238 | Q01959 | Dopamine transporter | 89.76% | 95.88% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.37% | 98.95% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.77% | 99.35% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.27% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.39% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.11% | 93.56% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 86.96% | 93.18% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.86% | 98.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.46% | 91.11% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 85.09% | 95.36% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.00% | 100.00% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 84.99% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.95% | 96.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.52% | 90.71% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.51% | 95.58% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.35% | 93.04% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.55% | 92.88% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.50% | 96.43% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.48% | 95.93% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 82.97% | 89.92% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.68% | 97.79% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 82.53% | 95.42% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.03% | 97.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.01% | 89.05% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.67% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.30% | 95.50% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.10% | 98.33% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.84% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.64% | 95.38% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 80.51% | 96.03% |
| CHEMBL268 | P43235 | Cathepsin K | 80.42% | 96.85% |
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.
| Aloe africana |
| Avena sativa |
| Diplopterygium glaucum |
| Haplomitrium mnioides |
| Kalanchoe petitiana |
| Nicotiana tabacum |
| PubChem | 66603436 |
| LOTUS | LTS0046405 |
| wikiData | Q105226380 |