17-(5-ethyl-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-3,6-diol
| Internal ID | fe992378-0658-42fc-aa95-c616eda97f1c |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives |
| IUPAC Name | 17-(5-ethyl-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-3,6-diol |
| SMILES (Canonical) | CCC(CCC(C)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C)C(C)C |
| SMILES (Isomeric) | CCC(CCC(C)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C)C(C)C |
| InChI | InChI=1S/C29H52O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-27,30-31H,7-17H2,1-6H3 |
| InChI Key | FFLGORGANMRISQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H52O2 |
| Molecular Weight | 432.70 g/mol |
| Exact Mass | 432.396730897 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 8.80 |
| 112244-29-8 |
| SCHEMBL14490132 |
| AKOS032948171 |
![2D Structure of 17-(5-ethyl-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-3,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/fde3efd0-85cc-11ee-af27-5d56267a2db3.jpg "2D Structure of 17-(5-ethyl-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-3,6-diol")
| 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 | 96.00% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.50% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.86% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.49% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.03% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.33% | 95.93% |
| CHEMBL238 | Q01959 | Dopamine transporter | 89.40% | 95.88% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.69% | 82.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.72% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.18% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.79% | 100.00% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.63% | 95.58% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.59% | 96.38% |
| CHEMBL268 | P43235 | Cathepsin K | 83.43% | 96.85% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 83.27% | 98.35% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.04% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.70% | 90.71% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.46% | 85.31% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.19% | 96.43% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.86% | 92.88% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.80% | 98.10% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 81.60% | 92.78% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.15% | 89.62% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.06% | 97.79% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.87% | 89.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.73% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.67% | 95.89% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.28% | 89.05% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.27% | 96.61% |
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.
| Joannesia princeps |
| Mangifera indica |
| PubChem | 13964296 |
| LOTUS | LTS0203987 |
| wikiData | Q104994528 |