Phenol, 2-methoxy-6-(2-methoxy-4-(2-propenyl)phenoxy)-4-(2-propenyl)-

Details

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Internal ID 0df3673d-f0d1-42af-a859-35d17d12e97d
Taxonomy Benzenoids > Benzene and substituted derivatives > Diphenylethers
IUPAC Name 2-methoxy-6-(2-methoxy-4-prop-2-enylphenoxy)-4-prop-2-enylphenol
SMILES (Canonical) COC1=C(C=CC(=C1)CC=C)OC2=CC(=CC(=C2O)OC)CC=C
SMILES (Isomeric) COC1=C(C=CC(=C1)CC=C)OC2=CC(=CC(=C2O)OC)CC=C
InChI InChI=1S/C20H22O4/c1-5-7-14-9-10-16(17(11-14)22-3)24-19-13-15(8-6-2)12-18(23-4)20(19)21/h5-6,9-13,21H,1-2,7-8H2,3-4H3
InChI Key IHJFUBOOWFHEMB-UHFFFAOYSA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C20H22O4
Molecular Weight 326.40 g/mol
Exact Mass 326.15180918 g/mol
Topological Polar Surface Area (TPSA) 47.90 Ų
XlogP 5.20

Synonyms

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Phenol, 2-methoxy-6-(2-methoxy-4-(2-propenyl)phenoxy)-4-(2-propenyl)-
2-methoxy-6-(2-methoxy-4-prop-2-enyl-phenoxy)-4-prop-2-enyl-phenol
2-Methoxy-6-(2-methoxy-4-(2-propenyl)phenoxy)-4-(2-propenyl)phenol
CHEMBL3577778
DTXSID50226192

2D Structure

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2D Structure of Phenol, 2-methoxy-6-(2-methoxy-4-(2-propenyl)phenoxy)-4-(2-propenyl)-

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 95.40% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.94% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.27% 86.33%
CHEMBL2581 P07339 Cathepsin D 90.42% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.99% 99.17%
CHEMBL1255126 O15151 Protein Mdm4 89.98% 90.20%
CHEMBL3492 P49721 Proteasome Macropain subunit 86.85% 90.24%
CHEMBL4208 P20618 Proteasome component C5 85.04% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.67% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 84.57% 91.49%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.28% 92.94%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.83% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.77% 94.45%
CHEMBL3194 P02766 Transthyretin 81.38% 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.
Ocimum tenuiflorum
Virola surinamensis

Cross-Links

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PubChem 154407
LOTUS LTS0275694
wikiData Q83105516