7,2'-Dihydroxy-6,4'-dimethoxyisoflavone

Details

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Internal ID e883575b-8580-4fe4-aa99-74752de37c8d
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 4-O-methylisoflavones
IUPAC Name 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-6-methoxychromen-4-one
SMILES (Canonical) COC1=CC(=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)O)O
SMILES (Isomeric) COC1=CC(=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)O)O
InChI InChI=1S/C17H14O6/c1-21-9-3-4-10(13(18)5-9)12-8-23-15-7-14(19)16(22-2)6-11(15)17(12)20/h3-8,18-19H,1-2H3
InChI Key RHNVSRHYVGNPEO-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C17H14O6
Molecular Weight 314.29 g/mol
Exact Mass 314.07903816 g/mol
Topological Polar Surface Area (TPSA) 85.20 Ų
XlogP 2.40

Synonyms

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6,4'-Dimethoxy-7,2'-dihydroxyisoflavone
CHEMBL517700
SCHEMBL1411063
LMPK12050128

2D Structure

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2D Structure of 7,2'-Dihydroxy-6,4'-dimethoxyisoflavone

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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 99.37% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.78% 95.56%
CHEMBL2581 P07339 Cathepsin D 94.15% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.90% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.20% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 92.18% 99.15%
CHEMBL2535 P11166 Glucose transporter 90.65% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.61% 99.17%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.68% 89.00%
CHEMBL4208 P20618 Proteasome component C5 88.35% 90.00%
CHEMBL1907 P15144 Aminopeptidase N 88.33% 93.31%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.71% 99.23%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 83.29% 92.67%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 82.58% 93.65%
CHEMBL2056 P21728 Dopamine D1 receptor 80.81% 91.00%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 80.69% 80.78%

Plants that contains it

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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.
Glycyrrhiza pallidiflora
Psorothamnus spinosus

Cross-Links

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PubChem 44257255
LOTUS LTS0135546
wikiData Q105236553