7-Hydroxy-5-methoxy-6,8-dimethylflavone

Details

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Internal ID 3d236e7d-84b2-4192-b97e-e9e1ecc3b35f
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 5-O-methylated flavonoids
IUPAC Name 7-hydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one
SMILES (Canonical) CC1=C(C(=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)OC)C)O
SMILES (Isomeric) CC1=C(C(=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)OC)C)O
InChI InChI=1S/C18H16O4/c1-10-16(20)11(2)18-15(17(10)21-3)13(19)9-14(22-18)12-7-5-4-6-8-12/h4-9,20H,1-3H3
InChI Key NXIOJDXYHLKSSC-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C18H16O4
Molecular Weight 296.30 g/mol
Exact Mass 296.10485899 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 3.50

Synonyms

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7-hydroxy-5-methoxy-6,8-dimethylflavone
CHEMBL1271260
SCHEMBL661087
BDBM50482883
7-hydroxy-6,8-dimethyl-5-methoxyflavone
Q27138988
7-hydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one
7-hydroxy-5-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-4-one

2D Structure

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2D Structure of 7-Hydroxy-5-methoxy-6,8-dimethylflavone

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 98.08% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.92% 95.56%
CHEMBL2581 P07339 Cathepsin D 95.54% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.44% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.86% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.83% 99.15%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 88.52% 95.50%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.50% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.99% 99.23%
CHEMBL3192 Q9BY41 Histone deacetylase 8 83.10% 93.99%
CHEMBL3401 O75469 Pregnane X receptor 82.61% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.97% 99.17%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 80.96% 85.14%

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.
Syzygium nervosum

Cross-Links

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PubChem 14753671
LOTUS LTS0094957
wikiData Q27138988