5-Hydroxy-7,8-dimethoxyflavone

Details

• Internal ID: 76423a85-ca56-4528-90be-b0c375a84503
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids
• IUPAC Name: 5-hydroxy-7,8-dimethoxy-2-phenylchromen-4-one
• SMILES (Canonical): COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3)OC
• SMILES (Isomeric): COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3)OC
• InChI: InChI=1S/C17H14O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-9,19H,1-2H3
• InChI Key: IHLSBQVBFDTNTC-UHFFFAOYSA-N
• Popularity: 35 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₄O₅
• Molecular Weight: 298.29 g/mol
• Exact Mass: 298.08412354 g/mol
• Topological Polar Surface Area (TPSA): 65.00 Ų
• XlogP: 3.30

Synonyms

• 3570-62-5
• 5-Hydroxy-7,8-dimethoxyflavone
• 7-O-Methylwogonin
• 5-hydroxy-7,8-dimethoxy-2-phenylchromen-4-one
• 5-hydroxy-7,8-dimethoxy-2-phenyl-4h-chromen-4-one
• SCHEMBL6070206
• CHEMBL2235239
• ACon1_000806
• DTXSID80189221
• HY-N2035
• LMPK12111332
• MFCD11656137
• AKOS032948839
• 7-O-Methylwogonin, analytical standard
• NCGC00169341-01
• AC-34722
• MS-24282
• CS-0018525
• FT-0698311
• F17700
• Moslosooflavone; 5-Hydroxy-7,8-dimethoxylflavone
• BRD-K93000037-001-01-8
• 4H-1-Benzopyran-4-one, 5-hydroxy-7,8-dimethoxy-2-phenyl-

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	97.85%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.10%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.38%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	93.33%	94.00%
CHEMBL2581	P07339	Cathepsin D	92.94%	98.95%
CHEMBL3192	Q9BY41	Histone deacetylase 8	91.77%	93.99%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.43%	85.14%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	89.23%	99.15%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.95%	89.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	88.64%	95.50%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.57%	99.17%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.99%	99.23%
CHEMBL1255126	O15151	Protein Mdm4	82.02%	90.20%

Plants that contains it

• Achyrocline bogotensis
• Andrographis affinis
• Andrographis elongata
• Andrographis paniculata
• Collinsonia canadensis
• Dracaena cochinchinensis
• Elsholtzia ciliata
• Helichrysum petiolare
• Limnophila indica
• Mosla chinensis
• Mosla scabra
• Mosla soochouensis
• Nothofagus solandri
• Scutellaria baicalensis
• Scutellaria barbata
• Sinocrassula indica
• Uvaria rufa

Cross-Links

• PubChem: 188316
• NPASS: NPC306821
• ChEMBL: CHEMBL2235239
• LOTUS: LTS0043457
• wikiData: Q72483792