Hymenoxin

Details

• Internal ID: 72d15d24-8613-463e-a867-0238e3578852
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxychromen-4-one
• SMILES (Canonical): COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC
• SMILES (Isomeric): COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC
• InChI: InChI=1S/C19H18O8/c1-23-11-6-5-9(7-13(11)24-2)12-8-10(20)14-15(21)18(25-3)16(22)19(26-4)17(14)27-12/h5-8,21-22H,1-4H3
• InChI Key: QCOSAYZZNVASNN-UHFFFAOYSA-N
• Popularity: 30 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₁₈O₈
• Molecular Weight: 374.30 g/mol
• Exact Mass: 374.10016753 g/mol
• Topological Polar Surface Area (TPSA): 104.00 Ų
• XlogP: 2.90

Synonyms

• 56003-01-1
• 5,7-Dihydroxy-6,8,3',4'-tetramethoxyflavone
• CHEMBL504325
• NSC655980
• 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxychromen-4-one
• SCHEMBL1764664
• DTXSID90204575
• CHEBI:175802
• BDBM50412269
• LMPK12111477
• 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-chromen-4-one
• NSC-655980
• NCI60_019381
• 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one
• 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one, 9CI
• 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-

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
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	96.89%	94.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.71%	91.11%
CHEMBL2581	P07339	Cathepsin D	92.53%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.19%	89.00%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	91.14%	98.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.82%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.84%	94.45%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.30%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.85%	95.56%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	86.77%	96.21%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.33%	99.17%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	82.73%	99.15%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	82.65%	86.92%
CHEMBL3194	P02766	Transthyretin	82.19%	90.71%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.62%	92.94%
CHEMBL1255126	O15151	Protein Mdm4	80.62%	90.20%

Plants that contains it

• Biebersteinia orphanidis
• Calanticaria greggii
• Helianthus hirsutus
• Helianthus microcephalus
• Helianthus radula
• Helianthus simulans
• Hymenoxys odorata
• Mentha × piperita
• Ononis natrix
• Phoebanthus tenuifolius
• Scoparia dulcis
• Tetraneuris linearifolia
• Tithonia longiradiata

Cross-Links

• PubChem: 171488
• LOTUS: LTS0185988
• wikiData: Q83078013