5-Ethyl-2-methoxyphenol

Details

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Internal ID a0077700-5c5a-4189-ae29-a1bf8d968358
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name 5-ethyl-2-methoxyphenol
SMILES (Canonical) CCC1=CC(=C(C=C1)OC)O
SMILES (Isomeric) CCC1=CC(=C(C=C1)OC)O
InChI InChI=1S/C9H12O2/c1-3-7-4-5-9(11-2)8(10)6-7/h4-6,10H,3H2,1-2H3
InChI Key CAWZFQGJUGEKFU-UHFFFAOYSA-N
Popularity 40 references in papers

Physical and Chemical Properties

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Molecular Formula C9H12O2
Molecular Weight 152.19 g/mol
Exact Mass 152.083729621 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 1.70

Synonyms

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2785-88-8
Locustol
Phenol, 5-ethyl-2-methoxy-
G8V5WHB17K
UNII-G8V5WHB17K
5-ETHYLGUAIACOL
2-Methoxy-5-ethylphenol
5-ethyl-2-methoxy-phenol
GUAIACOL, 5-ETHYL-
SCHEMBL109505
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 5-Ethyl-2-methoxyphenol

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.09% 96.09%
CHEMBL2581 P07339 Cathepsin D 91.98% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.76% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.24% 86.33%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 87.90% 96.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.90% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.63% 99.17%
CHEMBL1255126 O15151 Protein Mdm4 87.55% 90.20%
CHEMBL4208 P20618 Proteasome component C5 86.17% 90.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 85.86% 90.24%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.21% 91.11%
CHEMBL2535 P11166 Glucose transporter 85.10% 98.75%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.09% 95.89%

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.
Capsicum annuum
Coffea arabica

Cross-Links

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PubChem 3083782
LOTUS LTS0112428
wikiData Q27278942