2,3,5,6-Tetramethylphenol

Details

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Internal ID 04f95281-1f0b-47c8-afb6-d3ecd888f258
Taxonomy Benzenoids > Phenols > Cresols > Ortho cresols
IUPAC Name 2,3,5,6-tetramethylphenol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H14O/c1-6-5-7(2)9(4)10(11)8(6)3/h5,11H,1-4H3
InChI Key KLAQSPUVCDBEGF-UHFFFAOYSA-N
Popularity 45 references in papers

Physical and Chemical Properties

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Molecular Formula C10H14O
Molecular Weight 150.22 g/mol
Exact Mass 150.104465066 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.00

Synonyms

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Durenol
Phenol, tetramethyl-
Phenol, 2,3,5,6-tetramethyl-
D3E9LGC5N8
DUROPHENOL
CCRIS 5844
EINECS 208-415-0
NSC 65612
NSC-65612
UNII-D3E9LGC5N8
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2,3,5,6-Tetramethylphenol

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.72% 91.11%
CHEMBL2581 P07339 Cathepsin D 83.61% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 83.00% 94.73%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 82.66% 93.65%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.89% 95.56%

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.
Lobelia chinensis

Cross-Links

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PubChem 10694
NPASS NPC117355