17-(5,6-dimethylhept-2-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
| Internal ID | bcf80ee2-d710-4c10-a974-788cd463f920 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | 17-(5,6-dimethylhept-2-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol |
| SMILES (Canonical) | CC(C)C(C)CC=C(C)C1CCC2C1(CC=C3C2CC(C4C3(CCC(C4)O)C)O)C |
| SMILES (Isomeric) | CC(C)C(C)CC=C(C)C1CCC2C1(CC=C3C2CC(C4C3(CCC(C4)O)C)O)C |
| InChI | InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h8,12,17-18,20-23,25-26,29-30H,7,9-11,13-16H2,1-6H3 |
| InChI Key | BJJMHFSVVTWJFH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H46O2 |
| Molecular Weight | 414.70 g/mol |
| Exact Mass | 414.349780706 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of 17-(5,6-dimethylhept-2-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/411e2e50-85f1-11ee-95c3-cfcdb9f00509.jpg "2D Structure of 17-(5,6-dimethylhept-2-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.59% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.28% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.55% | 95.93% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.73% | 97.79% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.18% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.91% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.89% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.28% | 98.95% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 89.62% | 98.35% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.60% | 90.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.64% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.55% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.75% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.40% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.97% | 85.14% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.73% | 89.05% |
| CHEMBL238 | Q01959 | Dopamine transporter | 83.04% | 95.88% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.40% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.38% | 90.00% |
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 | 162994229 |
| LOTUS | LTS0182326 |
| wikiData | Q104937128 |