5,7,4'-Trihydroxy-3,6,8,3',5'-pentamethoxyflavone

Details

• Internal ID: 5415426f-8afe-4c49-9377-8cbcdc274fce
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids
• IUPAC Name: 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3,6,8-trimethoxychromen-4-one
• SMILES (Canonical): COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC
• SMILES (Isomeric): COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC
• InChI: InChI=1S/C20H20O10/c1-25-9-6-8(7-10(26-2)12(9)21)16-19(28-4)14(23)11-13(22)18(27-3)15(24)20(29-5)17(11)30-16/h6-7,21-22,24H,1-5H3
• InChI Key: DOUSAHOSFHEMPA-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₀O₁₀
• Molecular Weight: 420.40 g/mol
• Exact Mass: 420.10564683 g/mol
• Topological Polar Surface Area (TPSA): 133.00 Ų
• XlogP: 2.70

Synonyms

• LMPK12113362

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

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	98.29%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	94.70%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.57%	89.00%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	92.54%	98.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.01%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.68%	95.56%
CHEMBL2002	P12268	Inosine-5'-monophosphate dehydrogenase 2	89.26%	98.21%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.74%	86.33%
CHEMBL2581	P07339	Cathepsin D	86.55%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.27%	99.17%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	82.22%	94.42%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.35%	92.62%

Plants that contains it

• Acacia pycnantha
• Afrocarpus falcatus
• Aloe vera
• Asterogyne martiana
• Baccharis magellanica
• Beilschmiedia volckii
• Berkheya zeyheri
• Beta vulgaris
• Canella winterana
• Carlina acaulis
• Chrysosplenium echinus
• Cirsium nipponicum var. incomptum
• Clausena lansium
• Daphne giraldii
• Eumorphia sericea
• Eupatorium cannabinum subsp. cannabinum
• Flemingia chappar
• Garcinia pseudoguttifera
• Gutierrezia grandis
• Gutierrezia microcephala
• Ligularia lamarum
• Lippia mexicana
• Narcissus obesus
• Nicotiana forsteri
• Ocotea pulchella
• Philotheca thryptomenoides
• Salvia digitaloides
• Sophora exigua
• Sporobolus cynosuroides
• Thalictrum cultratum
• Thermopsis alpina
• Turricula parryi
• Uncaria laevigata
• Xanthium pungens

Cross-Links

• PubChem: 21676159
• NPASS: NPC1157
• LOTUS: LTS0202975
• wikiData: Q104986261