4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-, (S)-
| Internal ID | 3b8cfa97-52e8-449f-893f-d1e92f53360d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 6-O-methylated flavonoids |
| IUPAC Name | (2S)-5,7-dihydroxy-6-methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=CC(=CC2=C1OCO2)C3CC(=O)C4=C(O3)C=C(C(=C4O)OC)O |
| SMILES (Isomeric) | COC1=CC(=CC2=C1OCO2)[C@@H]3CC(=O)C4=C(O3)C=C(C(=C4O)OC)O |
| InChI | InChI=1S/C18H16O8/c1-22-13-3-8(4-14-18(13)25-7-24-14)11-5-9(19)15-12(26-11)6-10(20)17(23-2)16(15)21/h3-4,6,11,20-21H,5,7H2,1-2H3/t11-/m0/s1 |
| InChI Key | OPMVFPLFBRWXER-NSHDSACASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H16O8 |
| Molecular Weight | 360.30 g/mol |
| Exact Mass | 360.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 2.50 |
| 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-, (S)- |
| DTXSID701113419 |
| AKOS040745507 |
| 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 | 99.36% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.94% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.99% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.66% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.76% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.14% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.98% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.84% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.66% | 92.62% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.93% | 82.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.25% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.05% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.63% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.32% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.95% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.90% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.41% | 98.75% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 82.37% | 96.86% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.05% | 82.38% |
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.
| Agave americana |
| PubChem | 154496115 |
| LOTUS | LTS0022123 |
| wikiData | Q105196443 |