4-(2-Hydroxy-1-methoxypropyl)-2,6-dimethoxyphenol

Details

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Internal ID dc52a8ce-72af-4a17-93de-cb4112fd98b9
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name 4-(2-hydroxy-1-methoxypropyl)-2,6-dimethoxyphenol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C12H18O5/c1-7(13)12(17-4)8-5-9(15-2)11(14)10(6-8)16-3/h5-7,12-14H,1-4H3
InChI Key VVEVGZSNVASIHR-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C12H18O5
Molecular Weight 242.27 g/mol
Exact Mass 242.11542367 g/mol
Topological Polar Surface Area (TPSA) 68.20 Ų
XlogP 0.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-(2-Hydroxy-1-methoxypropyl)-2,6-dimethoxyphenol

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 95.80% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.23% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.26% 85.14%
CHEMBL1255126 O15151 Protein Mdm4 87.92% 90.20%
CHEMBL2581 P07339 Cathepsin D 87.50% 98.95%
CHEMBL4208 P20618 Proteasome component C5 87.12% 90.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.10% 96.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.57% 94.45%
CHEMBL2535 P11166 Glucose transporter 84.37% 98.75%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 83.37% 89.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.45% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.77% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.89% 99.17%
CHEMBL3492 P49721 Proteasome Macropain subunit 80.37% 90.24%

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.
Chaerophyllum hirsutum
Virola pavonis

Cross-Links

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PubChem 155397839
LOTUS LTS0041085
wikiData Q105284498