3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-8,9,10,11,12,12a,13,14-octahydro-7H-picen-2-one
| Internal ID | 0ad79f26-ba32-4a6c-a9a4-b7e6a50dacb4 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones |
| IUPAC Name | 3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-8,9,10,11,12,12a,13,14-octahydro-7H-picen-2-one |
| SMILES (Canonical) | CC1CCC2(CCC3(C4=CC=C5C(=C(C(=O)C=C5C4(CCC3(C2C1)C)C)O)C)C)C |
| SMILES (Isomeric) | CC1CCC2(CCC3(C4=CC=C5C(=C(C(=O)C=C5C4(CCC3(C2C1)C)C)O)C)C)C |
| InChI | InChI=1S/C28H38O2/c1-17-9-10-25(3)11-13-27(5)22-8-7-19-18(2)24(30)21(29)16-20(19)26(22,4)12-14-28(27,6)23(25)15-17/h7-8,16-17,23,30H,9-15H2,1-6H3 |
| InChI Key | YTTSTILQZWUCRJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H38O2 |
| Molecular Weight | 406.60 g/mol |
| Exact Mass | 406.287180451 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 7.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.21% | 97.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 92.17% | 94.78% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.55% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.27% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.87% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.65% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.24% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.17% | 93.99% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.73% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.94% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.73% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.57% | 93.40% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.72% | 93.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.09% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.08% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.77% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.19% | 95.89% |
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.
| Semialarium mexicanum |
| PubChem | 77148673 |
| LOTUS | LTS0031058 |
| wikiData | Q105362029 |