7-O-Methylluteolin

Details

• Internal ID: f72c8719-30c9-48b0-b783-0bcef86650a9
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
• SMILES (Canonical): COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O
• SMILES (Isomeric): COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O
• InChI: InChI=1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3
• InChI Key: RRRSSAVLTCVNIQ-UHFFFAOYSA-N
• Popularity: 37 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₂O₆
• Molecular Weight: 300.26 g/mol
• Exact Mass: 300.06338810 g/mol
• Topological Polar Surface Area (TPSA): 96.20 Ų
• XlogP: 1.70

Synonyms

• 20243-59-8
• 7-O-Methylluteolin
• Luteolin 7-methyl ether
• 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one
• 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
• 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-
• 3'-hydroxygenkwanin
• 5,3',4'-Trihydroxy-7-methoxyflavone
• CHEMBL183745
• UNII-732GA1Z079
• 732GA1Z079
• 2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxy-4h-1-Chromen-4-One
• 6B5
• MEGxp0_000798
• SCHEMBL4203893
• ACon1_000842
• CHEBI:168675
• HY-N1438
• BDBM50240943
• LMPK12111045
• s9205
• AKOS015999029
• CCG-267462
• NCGC00169305-01
• AC-34593
• MS-24321
• CS-0016871
• FT-0697965
• A879764
• Q27266123
• 2-(3,4-Dihydroxy-phenyl)-5-hydroxy-7-methoxy-chromen-4-one
• 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one
• 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
• 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one, 9CI
• 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1801	P00747	Plasminogen	2300 nM	IC50	PMID: 15787457

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.98%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	97.49%	85.14%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	97.38%	99.15%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	94.51%	94.00%
CHEMBL2581	P07339	Cathepsin D	92.69%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.26%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	91.35%	91.49%
CHEMBL3194	P02766	Transthyretin	89.56%	90.71%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.46%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.62%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.59%	94.45%
CHEMBL3401	O75469	Pregnane X receptor	86.57%	94.73%
CHEMBL1907	P15144	Aminopeptidase N	84.29%	93.31%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	84.08%	93.65%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.64%	90.71%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.01%	99.23%
CHEMBL4208	P20618	Proteasome component C5	80.28%	90.00%

Plants that contains it

• Adenothamnus validus
• Aquilaria sinensis
• Arnica longifolia
• Artemisia annua
• Artemisia campestris subsp. variabilis
• Artemisia molinieri
• Blumea balsamifera
• Cistus laurifolius
• Cornus officinalis
• Cyperus conglomeratus
• Daphne genkwa
• Daphne laureola
• Daphne sericea
• Dubautia arborea
• Encelia stenophylla
• Eucryphia lucida
• Glycyrrhiza uralensis
• Heliotropium stenophyllum
• Heteromera fuscata
• Hintonia latiflora
• Holocarpha obconica
• Holocarpha virgata
• Isocoma acradenia
• Isodon eriocalyx
• Lychnophora pohlii
• Mesomelaena stygia
• Mitracarpus hirtus
• Moquiniastrum argentinum
• Salpiglossis sinuata
• Salvia hypoleuca
• Salvia limbata
• Salvia officinalis
• Verbascum lychnitis

Cross-Links

• PubChem: 5318214
• NPASS: NPC108406
• ChEMBL: CHEMBL183745
• LOTUS: LTS0259993
• wikiData: Q27266123