6,7,4'-Trihydroxy-3',5'-dimethoxyflavone

Details

Top
Internal ID e8e2c614-2dd2-4d17-b184-33454fab147e
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 3-O-methylated flavonoids
IUPAC Name 6,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
SMILES (Canonical) COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=CC(=C(C=C3O2)O)O
SMILES (Isomeric) COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=CC(=C(C=C3O2)O)O
InChI InChI=1S/C17H14O7/c1-22-15-3-8(4-16(23-2)17(15)21)13-6-10(18)9-5-11(19)12(20)7-14(9)24-13/h3-7,19-21H,1-2H3
InChI Key MREYMOHETAHVAQ-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

Top
Molecular Formula C17H14O7
Molecular Weight 330.29 g/mol
Exact Mass 330.07395278 g/mol
Topological Polar Surface Area (TPSA) 105.00 Ų
XlogP 2.10

Synonyms

Top
4',6,7-trihydroxy-3',5'-dimethoxyflavone
LMPK12110072

2D Structure

Top
2D Structure of 6,7,4'-Trihydroxy-3',5'-dimethoxyflavone

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 99.01% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.56% 85.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 95.13% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.23% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.12% 89.00%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 90.11% 98.11%
CHEMBL2581 P07339 Cathepsin D 89.55% 98.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.44% 99.15%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.49% 86.33%
CHEMBL3194 P02766 Transthyretin 82.51% 90.71%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.19% 99.23%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.12% 90.71%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.29% 92.62%
CHEMBL1907 P15144 Aminopeptidase N 80.23% 93.31%

Plants that contains it

Top
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.
Artemisia giraldii

Cross-Links

Top
PubChem 10471807
LOTUS LTS0083749
wikiData Q105170524