10-Hydroxy-2,2,4a,6a,6b,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,9,10,11,12,14b-tetradecahydropicen-13-one
| Internal ID | 2851981e-a8b8-454c-a818-61d8f4cb97d7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 10-hydroxy-2,2,4a,6a,6b,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,9,10,11,12,14b-tetradecahydropicen-13-one |
| SMILES (Canonical) | CC1(CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5)O)C)C)C2C1)C)C)C |
| SMILES (Isomeric) | CC1(CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5)O)C)C)C2C1)C)C)C |
| InChI | InChI=1S/C28H44O2/c1-24(2)11-12-25(3)13-14-27(5)20(21(25)17-24)16-22(30)23-26(4)9-8-19(29)15-18(26)7-10-28(23,27)6/h16,18-19,21,23,29H,7-15,17H2,1-6H3 |
| InChI Key | AAKOISDNEXEACD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H44O2 |
| Molecular Weight | 412.60 g/mol |
| Exact Mass | 412.334130642 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 7.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 98.17% | 94.78% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.62% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.46% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.67% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.81% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.77% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.71% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.53% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.03% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.25% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.56% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.21% | 93.03% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.11% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.80% | 97.25% |
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.
| Gymnosporia emarginata |
| PubChem | 162914632 |
| LOTUS | LTS0164182 |
| wikiData | Q104907991 |