6-Methyl-4-chromanone

Details

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Internal ID 6c9e4a60-fcaa-4f12-ad16-7422c4f870cb
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones
IUPAC Name 6-methyl-2,3-dihydrochromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H10O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6H,4-5H2,1H3
InChI Key RJHXEPLSJAVTFW-UHFFFAOYSA-N
Popularity 13 references in papers

Physical and Chemical Properties

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Molecular Formula C10H10O2
Molecular Weight 162.18 g/mol
Exact Mass 162.068079557 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 1.70

Synonyms

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6-methylchroman-4-one
39513-75-2
6-Methyl-2,3-dihydro-4H-chromen-4-one
6-methyl-2,3-dihydrochromen-4-one
MFCD00024071
4H-1-Benzopyran-4-one, 2,3-dihydro-6-methyl-
6-methyl-chroman-4-one
SCHEMBL68886
6-Methyl-4-chromanone, 97%
DTXSID80342778
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 6-Methyl-4-chromanone

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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
CHEMBL2581 P07339 Cathepsin D 96.01% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.68% 95.56%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 94.23% 94.80%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.38% 85.14%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 92.11% 93.40%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 88.08% 81.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.72% 86.33%
CHEMBL2039 P27338 Monoamine oxidase B 86.19% 92.51%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.20% 100.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.84% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 81.59% 94.73%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.19% 90.71%

Plants that contains it

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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.
Aegle marmelos

Cross-Links

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PubChem 584354
LOTUS LTS0214613
wikiData Q72489521