5-Hydroxy-7,4'-dimethoxy-8-methylflavanone

Details

Top
Internal ID 662bae71-dc44-4195-8f63-0eb844845701
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
SMILES (Canonical) CC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)OC)O)OC
SMILES (Isomeric) CC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)OC)O)OC
InChI InChI=1S/C18H18O5/c1-10-15(22-3)8-13(19)17-14(20)9-16(23-18(10)17)11-4-6-12(21-2)7-5-11/h4-8,16,19H,9H2,1-3H3
InChI Key RCZWQZKJIGXABV-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C18H18O5
Molecular Weight 314.30 g/mol
Exact Mass 314.11542367 g/mol
Topological Polar Surface Area (TPSA) 65.00 Ų
XlogP 3.40

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 5-Hydroxy-7,4'-dimethoxy-8-methylflavanone

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.57% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.31% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.59% 94.00%
CHEMBL4208 P20618 Proteasome component C5 93.08% 90.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.83% 85.14%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 92.37% 99.15%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.94% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.76% 96.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.11% 99.23%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.42% 93.99%
CHEMBL2535 P11166 Glucose transporter 85.48% 98.75%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.21% 95.89%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.05% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.68% 86.33%
CHEMBL2581 P07339 Cathepsin D 84.54% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.83% 89.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.59% 94.45%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.69% 92.62%

Plants that contains it

Top
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.
Qualea labouriauana

Cross-Links

Top
PubChem 129834543
LOTUS LTS0121123
wikiData Q104196483