5,8-Dihydroxy-7-methoxyflavanone

Details

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Internal ID f589dccc-af2b-452e-99e8-f45b62b8ea65
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 5,8-dihydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
SMILES (Canonical) COC1=C(C2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)O)O
SMILES (Isomeric) COC1=C(C2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)O)O
InChI InChI=1S/C16H14O5/c1-20-13-8-11(18)14-10(17)7-12(21-16(14)15(13)19)9-5-3-2-4-6-9/h2-6,8,12,18-19H,7H2,1H3
InChI Key AIUFGSSCCIXONA-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C16H14O5
Molecular Weight 286.28 g/mol
Exact Mass 286.08412354 g/mol
Topological Polar Surface Area (TPSA) 76.00 Ų
XlogP 2.70

Synonyms

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SCHEMBL17907266
CHEBI:178312
LMPK12140663
5,8-dihydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one

2D Structure

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2D Structure of 5,8-Dihydroxy-7-methoxyflavanone

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 98.84% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.01% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.27% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.62% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.98% 86.33%
CHEMBL2581 P07339 Cathepsin D 91.72% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.47% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.08% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.64% 89.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.37% 99.15%
CHEMBL2535 P11166 Glucose transporter 81.80% 98.75%
CHEMBL4208 P20618 Proteasome component C5 80.81% 90.00%

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.
Helichrysum cymosum

Cross-Links

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PubChem 13888646
LOTUS LTS0118144
wikiData Q104912972