Colutequinone B
| Internal ID | 40ab1557-a4e5-4450-97ff-d5323ff2128f |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavanquinones |
| IUPAC Name | 3,5-dimethoxy-2-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]cyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | COC1=CC2=C(CC(CO2)C3=C(C(=O)C(=CC3=O)OC)OC)C=C1 |
| SMILES (Isomeric) | COC1=CC2=C(C[C@@H](CO2)C3=C(C(=O)C(=CC3=O)OC)OC)C=C1 |
| InChI | InChI=1S/C18H18O6/c1-21-12-5-4-10-6-11(9-24-14(10)7-12)16-13(19)8-15(22-2)17(20)18(16)23-3/h4-5,7-8,11H,6,9H2,1-3H3/t11-/m0/s1 |
| InChI Key | OIIWAPYAJCEIFE-NSHDSACASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H18O6 |
| Molecular Weight | 330.30 g/mol |
| Exact Mass | 330.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 2.10 |
| CHEMBL478386 |
| 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 | 97.77% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.18% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.36% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.01% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.62% | 98.95% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 90.17% | 92.51% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.87% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.59% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.13% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.94% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.24% | 97.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.86% | 94.80% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.61% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.49% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.26% | 93.31% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.99% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.58% | 91.49% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.45% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.52% | 99.17% |
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.
| Colutea arborescens |
| PubChem | 10019513 |
| LOTUS | LTS0077387 |
| wikiData | Q105192535 |