6,8,5'6'-Tetrahydroxy-3'-methylflavone

Details

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Internal ID fc8825e2-38d5-4da4-890e-2902191a6613
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavones
IUPAC Name 2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one
SMILES (Canonical) CC1=CC(=C(C(=C1)O)O)C2=CC(=O)C3=C(O2)C(=CC(=C3)O)O
SMILES (Isomeric) CC1=CC(=C(C(=C1)O)O)C2=CC(=O)C3=C(O2)C(=CC(=C3)O)O
InChI InChI=1S/C16H12O6/c1-7-2-10(15(21)12(19)3-7)14-6-11(18)9-4-8(17)5-13(20)16(9)22-14/h2-6,17,19-21H,1H3
InChI Key RKKNEAULDUVCCO-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C16H12O6
Molecular Weight 300.26 g/mol
Exact Mass 300.06338810 g/mol
Topological Polar Surface Area (TPSA) 107.00 Ų
XlogP 2.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6,8,5'6'-Tetrahydroxy-3'-methylflavone

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 97.19% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.29% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.13% 89.00%
CHEMBL1951 P21397 Monoamine oxidase A 93.54% 91.49%
CHEMBL2581 P07339 Cathepsin D 92.77% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.47% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.33% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 88.58% 94.73%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 88.43% 99.15%
CHEMBL3194 P02766 Transthyretin 86.19% 90.71%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 84.93% 93.65%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.39% 90.71%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 83.58% 81.11%
CHEMBL4530 P00488 Coagulation factor XIII 82.04% 96.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.80% 99.17%
CHEMBL1811 P34995 Prostanoid EP1 receptor 81.59% 95.71%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.14% 96.95%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 71665587
LOTUS LTS0183899
wikiData Q75067724