2',5,6',7-Tetrahydroxyflavane

Details

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Internal ID f862d1f5-6c4b-4639-8f6b-8e91fdfa0a4a
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Hydroxyflavonoids > 7-hydroxyflavonoids
IUPAC Name 2-(2,6-dihydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H14O5/c16-8-6-12(19)9-4-5-13(20-14(9)7-8)15-10(17)2-1-3-11(15)18/h1-3,6-7,13,16-19H,4-5H2
InChI Key HPXXXNRCPREQEL-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C15H14O5
Molecular Weight 274.27 g/mol
Exact Mass 274.08412354 g/mol
Topological Polar Surface Area (TPSA) 90.20 Ų
XlogP 2.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2',5,6',7-Tetrahydroxyflavane

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 98.27% 91.11%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 93.57% 93.40%
CHEMBL1929 P47989 Xanthine dehydrogenase 93.31% 96.12%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.51% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.39% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.68% 97.09%
CHEMBL2581 P07339 Cathepsin D 87.53% 98.95%
CHEMBL241 Q14432 Phosphodiesterase 3A 87.01% 92.94%
CHEMBL3192 Q9BY41 Histone deacetylase 8 84.28% 93.99%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.20% 89.00%
CHEMBL1951 P21397 Monoamine oxidase A 83.70% 91.49%
CHEMBL3227 P41594 Metabotropic glutamate receptor 5 83.36% 96.42%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.01% 95.89%
CHEMBL5203 P33316 dUTP pyrophosphatase 82.39% 99.18%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.23% 100.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.05% 99.23%
CHEMBL2535 P11166 Glucose transporter 81.73% 98.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.36% 99.15%

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 baicalensis

Cross-Links

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PubChem 92043131
LOTUS LTS0100447
wikiData Q105032032