7-Hydroxy-5-prop-2-enoxychromen-2-one

Details

• Internal ID: 165391be-f0a5-43c3-8a79-7c808836d209
• Taxonomy: Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins
• IUPAC Name: 7-hydroxy-5-prop-2-enoxychromen-2-one
• SMILES (Canonical): C=CCOC1=CC(=CC2=C1C=CC(=O)O2)O
• SMILES (Isomeric): C=CCOC1=CC(=CC2=C1C=CC(=O)O2)O
• InChI: InChI=1S/C12H10O4/c1-2-5-15-10-6-8(13)7-11-9(10)3-4-12(14)16-11/h2-4,6-7,13H,1,5H2
• InChI Key: FVHNZASUTQARDR-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₀O₄
• Molecular Weight: 218.20 g/mol
• Exact Mass: 218.05790880 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 2.20

Synonyms

There are no found synonyms.

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	98.83%	91.11%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	94.65%	83.57%
CHEMBL1951	P21397	Monoamine oxidase A	94.47%	91.49%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.64%	89.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.81%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.67%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.66%	99.17%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.83%	94.00%
CHEMBL3401	O75469	Pregnane X receptor	86.73%	94.73%
CHEMBL3194	P02766	Transthyretin	86.36%	90.71%
CHEMBL2581	P07339	Cathepsin D	84.35%	98.95%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	84.21%	89.62%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.44%	86.33%

Plants that contains it

• Lawsonia inermis

Cross-Links

• PubChem: 88028752
• LOTUS: LTS0130157
• wikiData: Q105002406