Sternbin

Details

• Internal ID: 2fd19538-aac0-453b-9fea-c9f78bbf0b74
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
• SMILES (Canonical): COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=C(C=C3)O)O)O
• SMILES (Isomeric): COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=C(C=C3)O)O)O
• InChI: InChI=1S/C16H14O6/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/h2-6,14,17-19H,7H2,1H3
• InChI Key: DSAJORLEPQBKDA-UHFFFAOYSA-N
• Popularity: 9 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

• 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
• MEGxp0_000573
• SCHEMBL2306531
• CHEMBL3233849
• 7-Methyleriodictyol; 7-O-Methyleriodictyol; Eriodictyol 7-methyl ether; Sternbin
• BCA85711
• LMPK12140580
• 5,3',4'-trihydroxy-7-methoxy flavanone
• FT-0777976

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	99.25%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	95.25%	99.15%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.90%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.57%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	93.10%	85.14%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.91%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.29%	97.09%
CHEMBL4208	P20618	Proteasome component C5	90.65%	90.00%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	90.31%	92.68%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.58%	99.23%
CHEMBL2581	P07339	Cathepsin D	87.55%	98.95%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.71%	95.89%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.61%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.27%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.35%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.43%	99.17%

Plants that contains it

• Adenothamnus validus
• Artemisia campestris
• Artemisia halodendron
• Artemisia monosperma
• Baccharis salicifolia subsp. salicifolia
• Baccharis scandens
• Blumea balsamifera
• Blumea fistulosa
• Dittrichia viscosa subsp. viscosa
• Heliotropium taltalense
• Holocarpha obconica
• Perymenium hintonii
• Traversia baccharoides
• Wyethia glabra

Cross-Links

• PubChem: 4872981
• LOTUS: LTS0118210
• wikiData: Q104987737