3,5,6-Trihydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-7,11-dione
| Internal ID | a45c2640-773c-4f21-ae9e-e611a6f5dc1a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | 3,5,6-trihydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-7,11-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H42O5/c1-15(2)7-6-8-16(3)18-9-10-19-21-22(20(29)14-25(18,19)4)26(5)12-11-17(28)13-27(26,32)24(31)23(21)30/h15-19,24,28,31-32H,6-14H2,1-5H3 |
| InChI Key | MFFFLSGMWIHXLR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H42O5 |
| Molecular Weight | 446.60 g/mol |
| Exact Mass | 446.30322444 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 3,5,6-Trihydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-7,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/05dd1400-846e-11ee-bcbc-99d3c6c0c7ee.jpg "2D Structure of 3,5,6-Trihydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-7,11-dione")
| 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 | 96.19% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.43% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.10% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.80% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.60% | 91.11% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 92.86% | 85.31% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.71% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.41% | 90.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.38% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.15% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.76% | 90.17% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.98% | 92.88% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.78% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.77% | 98.03% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 84.27% | 95.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.88% | 95.56% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.36% | 91.24% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.03% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.98% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.82% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.09% | 93.04% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.95% | 92.62% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.94% | 96.43% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.04% | 95.93% |
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.
| Drimia maritima |
| PubChem | 85089153 |
| LOTUS | LTS0059596 |
| wikiData | Q105377991 |