Bca 6
| Internal ID | 87eca07e-933f-4131-af95-97a298f29ac2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-[[2-(5,6-dihydroxy-6-methylheptan-2-yl)-5-hydroxy-5-methylcyclopent-2-en-1-yl]methyl]-3,4-dihydroxycyclohex-2-en-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H34O6/c1-12(5-8-18(24)20(2,3)26)13-9-10-21(4,27)15(13)11-14-16(22)6-7-17(23)19(14)25/h9,12,15,17-18,23-27H,5-8,10-11H2,1-4H3 |
| InChI Key | FIXRZLUOASIPBK-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H34O6 |
| Molecular Weight | 382.50 g/mol |
| Exact Mass | 382.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 0.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.99% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.99% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.06% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.68% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.36% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.54% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.08% | 82.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.44% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.44% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.06% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.94% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.74% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.27% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.09% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.09% | 97.14% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.40% | 92.88% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.19% | 95.93% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.67% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.62% | 89.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.40% | 95.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.24% | 93.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.20% | 94.75% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.06% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.84% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.69% | 99.23% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.37% | 92.68% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.12% | 98.75% |
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 | 139584968 |
| LOTUS | LTS0052473 |
| wikiData | Q77379354 |