(2R)-3-(4-hydroxy-3-methoxyphenoxy)propane-1,2-diol

Details

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Internal ID 77316b2b-576b-4343-b1e0-fd8f324d0f95
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name (2R)-3-(4-hydroxy-3-methoxyphenoxy)propane-1,2-diol
SMILES (Canonical) COC1=C(C=CC(=C1)OCC(CO)O)O
SMILES (Isomeric) COC1=C(C=CC(=C1)OC[C@@H](CO)O)O
InChI InChI=1S/C10H14O5/c1-14-10-4-8(2-3-9(10)13)15-6-7(12)5-11/h2-4,7,11-13H,5-6H2,1H3/t7-/m1/s1
InChI Key KJEPCXJZFJTPAZ-SSDOTTSWSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H14O5
Molecular Weight 214.21 g/mol
Exact Mass 214.08412354 g/mol
Topological Polar Surface Area (TPSA) 79.20 Ų
XlogP -0.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2R)-3-(4-hydroxy-3-methoxyphenoxy)propane-1,2-diol

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 97.65% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.80% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.01% 99.17%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 94.00% 99.15%
CHEMBL4208 P20618 Proteasome component C5 92.92% 90.00%
CHEMBL2535 P11166 Glucose transporter 90.06% 98.75%
CHEMBL1907 P15144 Aminopeptidase N 89.87% 93.31%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.74% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.01% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 88.55% 96.00%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 87.60% 89.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.71% 95.56%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 85.09% 86.92%
CHEMBL2581 P07339 Cathepsin D 82.65% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.34% 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.
Pedicularis densispica

Cross-Links

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PubChem 163012571
LOTUS LTS0240925
wikiData Q105141811