5,7-Dihydroxy-8-prenylflavanone

Details

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Internal ID 10a6df50-7823-4999-980f-ae5d172ae0b0
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones
IUPAC Name 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
SMILES (Canonical) CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=CC=C3)C
SMILES (Isomeric) CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=CC=C3)C
InChI InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3
InChI Key DAWSYIQAGQMLFS-UHFFFAOYSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C20H20O4
Molecular Weight 324.40 g/mol
Exact Mass 324.13615911 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 4.70

Synonyms

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Oprea1_792095
SCHEMBL320135
CHEMBL488888
MEGxp0_000704
5,7-dihydroxy-8-prenylflavanone
ACon1_001100
HMS1674D12
AKOS000511076
NCGC00169676-01
EU-0052602
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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

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 99.19% 91.11%
CHEMBL2581 P07339 Cathepsin D 96.36% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.75% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 92.94% 94.73%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 90.88% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.59% 86.33%
CHEMBL1951 P21397 Monoamine oxidase A 88.60% 91.49%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.19% 99.23%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.97% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.31% 89.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.74% 97.09%

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.
Digitalis lanata
Digitalis purpurea
Glycyrrhiza lepidota
Helichrysum forskahlii

Cross-Links

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PubChem 3144815
NPASS NPC76372
ChEMBL CHEMBL488888
LOTUS LTS0113104
wikiData Q104974054