13-Methyl-17-(5-propan-2-yloctan-2-yl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol
| Internal ID | ec8b5d72-7548-4293-a488-b325ebac23af |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives |
| IUPAC Name | 13-methyl-17-(5-propan-2-yloctan-2-yl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H52O/c1-6-7-21(19(2)3)9-8-20(4)27-14-15-28-26-12-10-22-18-23(30)11-13-24(22)25(26)16-17-29(27,28)5/h19-28,30H,6-18H2,1-5H3 |
| InChI Key | MVTBWZPAISRVGC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H52O |
| Molecular Weight | 416.70 g/mol |
| Exact Mass | 416.401816278 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 10.30 |
| There are no found synonyms. |
![2D Structure of 13-Methyl-17-(5-propan-2-yloctan-2-yl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/ecae36e0-869c-11ee-abf7-05b0f20d8687.jpg "2D Structure of 13-Methyl-17-(5-propan-2-yloctan-2-yl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.44% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.93% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.51% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.69% | 95.93% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 93.46% | 95.58% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.34% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.60% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.86% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.26% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.61% | 98.95% |
| CHEMBL240 | Q12809 | HERG | 87.22% | 89.76% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.06% | 90.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.51% | 92.88% |
| CHEMBL268 | P43235 | Cathepsin K | 85.29% | 96.85% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.88% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.28% | 96.43% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.17% | 96.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.10% | 95.89% |
| CHEMBL238 | Q01959 | Dopamine transporter | 83.95% | 95.88% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.93% | 100.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.92% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.44% | 93.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.00% | 97.79% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.33% | 89.05% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.78% | 89.62% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.43% | 95.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.62% | 94.78% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 80.14% | 92.78% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.01% | 98.10% |
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 | 73999874 |
| LOTUS | LTS0199757 |
| wikiData | Q105173280 |