3',4',5,7-Tetrahydroxy-3,8-dimethoxyflavone
Internal ID | 4c012680-fdde-4f62-9999-a497efc2ab76 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-dimethoxychromen-4-one |
SMILES (Canonical) | COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)O |
InChI | InChI=1S/C17H14O8/c1-23-15-11(21)6-10(20)12-13(22)17(24-2)14(25-16(12)15)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3 |
InChI Key | RRYQDECFPVYHLR-UHFFFAOYSA-N |
Popularity | 10 references in papers |
Molecular Formula | C17H14O8 |
Molecular Weight | 346.30 g/mol |
Exact Mass | 346.06886740 g/mol |
Topological Polar Surface Area (TPSA) | 126.00 Ų |
XlogP | 2.50 |
4988-22-1 |
Gossypetin 3,8-dimethyl ether |
Flavone, 3',4',5,7-tetrahydroxy-3,8-dimethoxy- |
CHEMBL162550 |
5,7,3',4'-Tetrahydroxy-3,8-dimethoxyflavone |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-dimethoxychromen-4-one |
DTXSID60198134 |
BDBM50412289 |
LMPK12113237 |
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-dimethoxy-4H-chromen-4-one |

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 | 99.16% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.74% | 94.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.67% | 99.15% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.11% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.04% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 90.32% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.31% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.31% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.18% | 94.73% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.16% | 80.78% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.61% | 99.23% |
CHEMBL3194 | P02766 | Transthyretin | 80.59% | 90.71% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.34% | 99.17% |
CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.25% | 93.65% |
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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PubChem | 5748553 |
NPASS | NPC176665 |
ChEMBL | CHEMBL162550 |
LOTUS | LTS0103318 |
wikiData | Q83070931 |