2'-O-Methylsepiol
| Internal ID | ffc88b14-ff6a-4fc7-b944-6a6cdb60fa4f |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 3-hydroxy,4-methoxyisoflavonoids |
| IUPAC Name | 3-(3-hydroxy-2,4-dimethoxyphenyl)-2H-chromen-7-ol |
| SMILES (Canonical) | COC1=C(C(=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2)OC)O |
| SMILES (Isomeric) | COC1=C(C(=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2)OC)O |
| InChI | InChI=1S/C17H16O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-8,18-19H,9H2,1-2H3 |
| InChI Key | PYXRJDSEUPSUBK-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H16O5 |
| Molecular Weight | 300.30 g/mol |
| Exact Mass | 300.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 2.70 |
| 7,3'-Dihydroxy-2',4'-dimethoxyisoflavene |
| LMPK12080066 |
| 3',7-dihydroxy-2',4'-dimethoxyisoflav-3-ene |
| 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 | 96.86% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.01% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.76% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.83% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.87% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.07% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.79% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.45% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.35% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.36% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.72% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 85.30% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.17% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.02% | 89.62% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.73% | 82.67% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.43% | 98.35% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.35% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.98% | 100.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 81.97% | 95.12% |
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.
| Gliricidia sepium |
| PubChem | 44257526 |
| LOTUS | LTS0095042 |
| wikiData | Q105216853 |