4,11-Dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,6b,7,8,11,12,12a,13,14,14b-tetradecahydropicene-3,10-dione
| Internal ID | 00e81eaf-d582-4b24-bebc-0d13af12a822 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 4,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,6b,7,8,11,12,12a,13,14,14b-tetradecahydropicene-3,10-dione |
| SMILES (Canonical) | CC1CC2C(CCC3(C2(CCC4(C3CCC5=C(C(=O)C(CC54)O)C)C)C)C)(C(C1=O)O)C |
| SMILES (Isomeric) | CC1CC2C(CCC3(C2(CCC4(C3CCC5=C(C(=O)C(CC54)O)C)C)C)C)(C(C1=O)O)C |
| InChI | InChI=1S/C28H42O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h15,18-21,24,29,32H,7-14H2,1-6H3 |
| InChI Key | UUGCGHAFZPEHIC-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C28H42O4 |
| Molecular Weight | 442.60 g/mol |
| Exact Mass | 442.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 5.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.53% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.52% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.70% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.64% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.14% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.15% | 92.94% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.30% | 96.38% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.28% | 96.43% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.23% | 93.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.11% | 96.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.81% | 86.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.30% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.06% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.90% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.86% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.48% | 98.95% |
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.
| Salacia chinensis |
| Tripterygium doianum |
| Tripterygium wilfordii |
| PubChem | 75069529 |
| LOTUS | LTS0100470 |
| wikiData | Q105279310 |