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(+)-Dihydrowighteone

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID a5c58ee7-1296-440b-9d5f-15fb522fed97
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones
IUPAC Name 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
SMILES (Canonical) CC(=CCC1=C(C2=C(C=C1O)OCC(C2=O)C3=CC=C(C=C3)O)O)C
SMILES (Isomeric) CC(=CCC1=C(C2=C(C=C1O)OCC(C2=O)C3=CC=C(C=C3)O)O)C
InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9,15,21-23H,8,10H2,1-2H3
InChI Key UYDQKAKPHFFLDY-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C20H20O5
Molecular Weight 340.40 g/mol
Exact Mass 340.13107373 g/mol
Topological Polar Surface Area (TPSA) 87.00 Ų
XlogP 4.50

Synonyms

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(+)-5,7,4'-Trihydroxy-6-prenylisoflavanone
SCHEMBL13360710
CHEBI:186073
LMPK12050473
5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

2D Structure

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2D Structure of (+)-Dihydrowighteone

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 99.65% 91.11%
CHEMBL2581 P07339 Cathepsin D 96.32% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.90% 94.45%
CHEMBL1951 P21397 Monoamine oxidase A 94.19% 91.49%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.72% 85.14%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.71% 97.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.32% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 90.44% 94.73%
CHEMBL1994 P08235 Mineralocorticoid receptor 90.19% 100.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.15% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.93% 95.89%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.63% 86.33%
CHEMBL4208 P20618 Proteasome component C5 81.88% 90.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.88% 90.71%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.75% 96.09%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 80.01% 85.00%

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.
Vigna angularis

Cross-Links

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PubChem 44257383
LOTUS LTS0061514
wikiData Q105281328