2,13-Dibutyl-11,22,23-trihydroxy-8,19-dimethyltricyclo[18.2.2.29,12]hexacosa-1(23),9(26),11,20(24),21-pentaene-10,25-dione
| Internal ID | 37671321-ef2d-473f-8246-2854837f9e63 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids |
| IUPAC Name | 2,13-dibutyl-11,22,23-trihydroxy-8,19-dimethyltricyclo[18.2.2.29,12]hexacosa-1(23),9(26),11,20(24),21-pentaene-10,25-dione |
| SMILES (Canonical) | CCCCC1CCCCCC(C2=CC(=O)C(=C(C2=O)O)C(CCCCCC(C3=CC(=C1C(=C3)O)O)C)CCCC)C |
| SMILES (Isomeric) | CCCCC1CCCCCC(C2=CC(=O)C(=C(C2=O)O)C(CCCCCC(C3=CC(=C1C(=C3)O)O)C)CCCC)C |
| InChI | InChI=1S/C36H54O5/c1-5-7-17-26-19-13-10-12-16-25(4)29-23-32(39)34(36(41)35(29)40)27(18-8-6-2)20-14-9-11-15-24(3)28-21-30(37)33(26)31(38)22-28/h21-27,37-38,41H,5-20H2,1-4H3 |
| InChI Key | CRPYYHQISGFROO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H54O5 |
| Molecular Weight | 566.80 g/mol |
| Exact Mass | 566.39712482 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 11.70 |
| There are no found synonyms. |
![2D Structure of 2,13-Dibutyl-11,22,23-trihydroxy-8,19-dimethyltricyclo[18.2.2.29,12]hexacosa-1(23),9(26),11,20(24),21-pentaene-10,25-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1006b660-875f-11ee-9050-5d456452b274.jpg "2D Structure of 2,13-Dibutyl-11,22,23-trihydroxy-8,19-dimethyltricyclo[18.2.2.29,12]hexacosa-1(23),9(26),11,20(24),21-pentaene-10,25-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.88% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.38% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.29% | 91.49% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.03% | 83.82% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.72% | 92.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.35% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.88% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.63% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.27% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.24% | 96.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 87.18% | 96.12% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 87.12% | 95.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.42% | 99.18% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.41% | 92.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.14% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.04% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.24% | 93.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.40% | 92.88% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.51% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.33% | 86.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.31% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.15% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.01% | 93.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.99% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.43% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.56% | 82.69% |
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 | 76955112 |
| LOTUS | LTS0183546 |
| wikiData | Q105103120 |