Homoeriodictyol (+/-)-

Details

• Internal ID: f4356536-841c-4cc1-8d22-16b367f8cd44
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 3-O-methylated flavonoids
• IUPAC Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
• SMILES (Canonical): COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
• SMILES (Isomeric): COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
• InChI: InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3
• InChI Key: FTODBIPDTXRIGS-UHFFFAOYSA-N
• Popularity: 125 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₄O₆
• Molecular Weight: 302.28 g/mol
• Exact Mass: 302.07903816 g/mol
• Topological Polar Surface Area (TPSA): 96.20 Ų
• XlogP: 2.40

Synonyms

• (+/-)-Homoeriodictyol
• 69097-98-9
• 107657-60-3
• UNII-9NB8N7LZ92
• (+/-)-5,7,4'-Trihydroxy-3'-methoxyflavanone
• 9NB8N7LZ92
• 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
• 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
• 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chroman-4-one
• MFCD00017314
• MLS000876962
• CHEMBL398282
• MEGxp0_000571
• SCHEMBL2307702
• ACon1_000195
• GTPL12444
• DTXSID501020066
• HMS2267J05
• (-)-HOMOERIODICTYOL with HPLC
• NCGC00180792-01
• SMR000440598
• SY324966
• FT-0631044
• FT-0774915
• E88706
• SR-01000758990
• SR-01000758990-3
• BRD-A52154940-001-01-0
• Q27272783

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
CHEMBL4878	Q16678	Cytochrome P450 1B1	240 nM	IC50	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.97%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.90%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.27%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.74%	94.45%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.99%	85.14%
CHEMBL4208	P20618	Proteasome component C5	89.83%	90.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.79%	97.09%
CHEMBL2581	P07339	Cathepsin D	89.74%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.59%	89.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	88.82%	99.23%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	88.10%	99.15%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.64%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.30%	86.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.99%	95.89%
CHEMBL3194	P02766	Transthyretin	85.45%	90.71%
CHEMBL2535	P11166	Glucose transporter	85.07%	98.75%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.26%	99.17%
CHEMBL1929	P47989	Xanthine dehydrogenase	82.27%	96.12%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	82.16%	97.14%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.51%	90.71%

Plants that contains it

• Artemisia vulgaris
• Bahiopsis laciniata
• Cheniella glauca
• Chrysothamnus viscidiflorus
• Cyperus pluribracteatus
• Dendrobium densiflorum
• Eriodictyon angustifolium
• Gnetum macrostachyum
• Limonium aureum
• Limonium sinense
• Smilax corbularia
• Viscum coloratum

Cross-Links

• PubChem: 3512637
• LOTUS: LTS0266494
• wikiData: Q27272783