3-Methoxy-2,5-toluquinone

Details

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Internal ID 57358e41-204b-490e-95a8-bda1b39a4f47
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzoquinones > P-benzoquinones
IUPAC Name 2-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
SMILES (Canonical) CC1=CC(=O)C=C(C1=O)OC
SMILES (Isomeric) CC1=CC(=O)C=C(C1=O)OC
InChI InChI=1S/C8H8O3/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4H,1-2H3
InChI Key HVGWDVJUMODUIZ-UHFFFAOYSA-N
Popularity 16 references in papers

Physical and Chemical Properties

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Molecular Formula C8H8O3
Molecular Weight 152.15 g/mol
Exact Mass 152.047344113 g/mol
Topological Polar Surface Area (TPSA) 43.40 Ų
XlogP 0.10

Synonyms

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2-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
611-68-7
2-Methoxy-6-methyl-1,4-benzoquinone
2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-methyl-
4-Methoxy-toluoquinone
2-Methoxy-6-methyl-p-benzoquinone
2-methoxy-6-methylbenzo-1,4-quinone
NSC 407935
BRN 2046069
NSC407935
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 3-Methoxy-2,5-toluquinone

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.07% 95.56%
CHEMBL2581 P07339 Cathepsin D 83.19% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.91% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.22% 86.33%

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.
Miconia lepidota

Cross-Links

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PubChem 101355
LOTUS LTS0059288
wikiData Q83084515