7-Hydroxy-5,8,2'-trimethoxyflavanone

Details

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Internal ID 159dff85-8bd7-4d65-b305-78155dbc4d16
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids
IUPAC Name 7-hydroxy-5,8-dimethoxy-2-(2-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILES (Canonical) COC1=CC=CC=C1C2CC(=O)C3=C(C=C(C(=C3O2)OC)O)OC
SMILES (Isomeric) COC1=CC=CC=C1C2CC(=O)C3=C(C=C(C(=C3O2)OC)O)OC
InChI InChI=1S/C18H18O6/c1-21-13-7-5-4-6-10(13)14-8-11(19)16-15(22-2)9-12(20)17(23-3)18(16)24-14/h4-7,9,14,20H,8H2,1-3H3
InChI Key FEIYIVGWSITXPN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H18O6
Molecular Weight 330.30 g/mol
Exact Mass 330.11033829 g/mol
Topological Polar Surface Area (TPSA) 74.20 Ų
XlogP 2.50

Synonyms

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LMPK12140644
AKOS032948597
7-HYDROXY-2',5,8-TRIMETHOXYFLAVANE
4-(3-ALLYL-4-OXO-THIAZOLIDIN-2-YLIDENEAMINO)-BENZOICACID

2D Structure

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2D Structure of 7-Hydroxy-5,8,2'-trimethoxyflavanone

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 98.82% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.41% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.80% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.90% 86.33%
CHEMBL2535 P11166 Glucose transporter 91.89% 98.75%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.17% 85.14%
CHEMBL2581 P07339 Cathepsin D 90.07% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.57% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.33% 89.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.61% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.32% 94.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.93% 97.14%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 81.13% 94.03%

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.
Scutellaria barbata
Scutellaria discolor

Cross-Links

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PubChem 21721829
LOTUS LTS0263829
wikiData Q104993990