7-Hydroxy-3-methylcoumarin

Details

Top
Internal ID 89342111-ff08-4f69-ab87-f0a033bfef31
Taxonomy Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins
IUPAC Name 7-hydroxy-3-methylchromen-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H8O3/c1-6-4-7-2-3-8(11)5-9(7)13-10(6)12/h2-5,11H,1H3
InChI Key ZLQJVGSVJRBUNL-UHFFFAOYSA-N
Popularity 664 references in papers

Physical and Chemical Properties

Top
Molecular Formula C10H8O3
Molecular Weight 176.17 g/mol
Exact Mass 176.047344113 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 2.00

Synonyms

Top
RefChem:914323
7-hydroxy-3-methyl-2H-chromen-2-one
4069-67-4
7-hydroxy-3-methylchromen-2-one
CHEMBL593424
2H-1-Benzopyran-2-one, 7-hydroxy-3-methyl-
7-Hydroxy-3-methyl-cumarin
SCHEMBL126040
BDBM50305313
MFCD09263984
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of 7-Hydroxy-3-methylcoumarin

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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 91.94% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 91.91% 94.73%
CHEMBL2581 P07339 Cathepsin D 91.60% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.56% 94.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 88.53% 93.65%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 87.46% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.45% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.14% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.95% 99.23%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 83.22% 85.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.28% 89.00%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Halocnemum strobilaceum

Cross-Links

Top
PubChem 13235410
LOTUS LTS0183563
wikiData Q105379097