2-(2,5-dihydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol

Details

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Internal ID 1c6f1ecf-a11c-427b-87e6-9cee5383527d
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 2-(2,5-dihydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H16O6/c1-21-9-5-13(19)10-7-14(20)16(22-15(10)6-9)11-4-8(17)2-3-12(11)18/h2-6,14,16-20H,7H2,1H3
InChI Key ANTRDHUEKKGVHT-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H16O6
Molecular Weight 304.29 g/mol
Exact Mass 304.09468823 g/mol
Topological Polar Surface Area (TPSA) 99.40 Ų
XlogP 0.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(2,5-dihydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol

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 99.04% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.35% 96.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 95.46% 99.15%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.29% 85.14%
CHEMBL2581 P07339 Cathepsin D 90.67% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.38% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.75% 94.45%
CHEMBL2535 P11166 Glucose transporter 86.40% 98.75%
CHEMBL4208 P20618 Proteasome component C5 85.96% 90.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.92% 97.09%
CHEMBL3231 Q13464 Rho-associated protein kinase 1 84.01% 95.55%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.94% 95.89%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.57% 94.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 80.71% 93.40%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.41% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.17% 99.17%

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.
Prunus prostrata

Cross-Links

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PubChem 162882068
LOTUS LTS0135545
wikiData Q104915405