7-Hydroxy-6-methoxy-4h-chromene

Details

• Internal ID: 284d1a79-d00d-4dbd-8bc7-32f15db590d1
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans
• IUPAC Name: 6-methoxy-4H-chromen-7-ol
• SMILES (Canonical): COC1=C(C=C2C(=C1)CC=CO2)O
• SMILES (Isomeric): COC1=C(C=C2C(=C1)CC=CO2)O
• InChI: InChI=1S/C10H10O3/c1-12-10-5-7-3-2-4-13-9(7)6-8(10)11/h2,4-6,11H,3H2,1H3
• InChI Key: YXDPSLZCSQBRGS-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₀O₃
• Molecular Weight: 178.18 g/mol
• Exact Mass: 178.062994177 g/mol
• Topological Polar Surface Area (TPSA): 38.70 Ų
• XlogP: 1.90

Synonyms

• 7-hydroxy-6-methoxy-4h-chromene

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	97.06%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.99%	96.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	88.79%	92.94%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.25%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.24%	94.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.20%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.09%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.19%	99.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.18%	94.45%
CHEMBL4208	P20618	Proteasome component C5	84.75%	90.00%
CHEMBL5311	P37023	Serine/threonine-protein kinase receptor R3	82.30%	82.67%
CHEMBL3192	Q9BY41	Histone deacetylase 8	80.20%	93.99%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	80.13%	91.79%

Plants that contains it

• Wisteria sinensis

Cross-Links

• PubChem: 11206106
• LOTUS: LTS0137295
• wikiData: Q105367509