Comazaphilone B
| Internal ID | 0ce1018a-6b62-432b-a5c3-861ddb5c760c |
| Taxonomy | Organoheterocyclic compounds > Azaphilones |
| IUPAC Name | [(6R,7R)-6-hydroxy-7-methyl-8-oxo-3-propyl-5,6-dihydro-1H-isochromen-7-yl] 3,4-dihydroxy-2-methoxy-6-methylbenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H26O8/c1-5-6-13-8-12-9-16(24)22(3,20(26)14(12)10-29-13)30-21(27)17-11(2)7-15(23)18(25)19(17)28-4/h7-8,16,23-25H,5-6,9-10H2,1-4H3/t16-,22-/m1/s1 |
| InChI Key | UIYAMSRXSZRILG-OPAMFIHVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H26O8 |
| Molecular Weight | 418.40 g/mol |
| Exact Mass | 418.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 2.20 |
| CHEBI:70011 |
| CHEMBL1689196 |
| Q27138352 |
| (6R,7R)-6-Hydroxy-7-methyl-8-oxo-3-propyl-5,6,7,8-tetrahydro-1H-isochromen-7-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate |
| [(6R,7R)-6-hydroxy-7-methyl-8-oxo-3-propyl-5,6-dihydro-1H-isochromen-7-yl] 3,4-dihydroxy-2-methoxy-6-methyl-benzoate |
| rel-(6R,7R)-6-hydroxy-7-methyl-8-oxo-3-propyl-5,6,7,8-tetrahydro-1H-isochromen-7-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.44% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.13% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.08% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.45% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.77% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.36% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.96% | 94.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 90.43% | 92.68% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.95% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.63% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.43% | 97.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.93% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.40% | 90.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.25% | 95.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.10% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.84% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.18% | 96.43% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.88% | 82.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.46% | 90.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 85.40% | 90.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.14% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.50% | 91.07% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.04% | 97.28% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.03% | 94.33% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.39% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.98% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.35% | 99.23% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.27% | 95.64% |
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.
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| There are no matching plants. |
| PubChem | 51041530 |
| LOTUS | LTS0082763 |
| wikiData | Q27138352 |