3-Hydroxy-5,6,7,4'-tetramethoxyflavone

Details

Top
Internal ID ca050273-00bc-4ee2-8f03-c5d9a4ac9cdb
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavones > Flavonols
IUPAC Name 3-hydroxy-5,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
SMILES (Canonical) COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)O
SMILES (Isomeric) COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)O
InChI InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)17-16(21)15(20)14-12(26-17)9-13(23-2)18(24-3)19(14)25-4/h5-9,21H,1-4H3
InChI Key HHWBLKJFIVNPLK-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

Top
Molecular Formula C19H18O7
Molecular Weight 358.30 g/mol
Exact Mass 358.10525291 g/mol
Topological Polar Surface Area (TPSA) 83.40 Ų
XlogP 2.90

Synonyms

Top
3-Hydroxy-4',5,6,7-tetramethoxyflavone
3-hydroxy-5,6,7,4'-tetramethoxyflavone

2D Structure

Top
2D Structure of 3-Hydroxy-5,6,7,4'-tetramethoxyflavone

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.69% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 97.54% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.60% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.35% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.64% 99.15%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.57% 89.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 90.45% 85.14%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.44% 99.17%
CHEMBL2581 P07339 Cathepsin D 88.69% 98.95%
CHEMBL4208 P20618 Proteasome component C5 84.77% 90.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.74% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.61% 96.09%
CHEMBL1907 P15144 Aminopeptidase N 82.45% 93.31%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.98% 96.00%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 80.85% 94.42%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 80.47% 86.92%

Cross-Links

Top
PubChem 24752965
NPASS NPC116994