7,2',4',5'-Tetramethoxyisoflavone

Details

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Internal ID 01e97b47-54db-407f-8ef2-d108149e14fb
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 7-O-methylated isoflavonoids > 7-O-methylisoflavones
IUPAC Name 7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
SMILES (Canonical) COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3OC)OC)OC
SMILES (Isomeric) COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3OC)OC)OC
InChI InChI=1S/C19H18O6/c1-21-11-5-6-12-16(7-11)25-10-14(19(12)20)13-8-17(23-3)18(24-4)9-15(13)22-2/h5-10H,1-4H3
InChI Key LMCHYXAZXISBOS-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C19H18O6
Molecular Weight 342.30 g/mol
Exact Mass 342.11033829 g/mol
Topological Polar Surface Area (TPSA) 63.20 Ų
XlogP 3.10

Synonyms

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4253-02-5
NSC646923
CHEMBL478578
SCHEMBL4832045
DTXSID90195318
LMCHYXAZXISBOS-UHFFFAOYSA-N
7,2',4',5'-Tetramethoxyisoflavon
LMPK12050091
2',4',5',7-Tetramethoxyisoflavone
NSC-646923
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 7,2',4',5'-Tetramethoxyisoflavone

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.09% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.93% 91.11%
CHEMBL2581 P07339 Cathepsin D 92.25% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.19% 94.00%
CHEMBL1907 P15144 Aminopeptidase N 91.21% 93.31%
CHEMBL2535 P11166 Glucose transporter 90.33% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.04% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.85% 96.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.39% 89.00%
CHEMBL4208 P20618 Proteasome component C5 82.94% 90.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.34% 99.17%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 81.77% 92.67%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.66% 92.62%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 80.57% 94.03%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.01% 97.14%

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.
Amorpha fruticosa
Millettia griffoniana

Cross-Links

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PubChem 165203
NPASS NPC216314
ChEMBL CHEMBL478578
LOTUS LTS0091300
wikiData Q83068207