Erythro-1-(3-methoxy-4-hydroxy-phenyl)-propan-1,2-diol

Details

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Internal ID f06935ff-592d-49fc-955f-726649debdc5
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name (1R,2S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H14O4/c1-6(11)10(13)7-3-4-8(12)9(5-7)14-2/h3-6,10-13H,1-2H3/t6-,10-/m0/s1
InChI Key PZKYCBMLUGVAGH-WKEGUHRASA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C10H14O4
Molecular Weight 198.22 g/mol
Exact Mass 198.08920892 g/mol
Topological Polar Surface Area (TPSA) 69.90 Ų
XlogP -0.20

Synonyms

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BDBM50337362
erythro-1-(3-methoxy-4-hydroxy-phenyl)-propan-1,2-diol

2D Structure

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2D Structure of Erythro-1-(3-methoxy-4-hydroxy-phenyl)-propan-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 95.98% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.32% 96.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.18% 99.15%
CHEMBL4208 P20618 Proteasome component C5 90.85% 90.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 90.19% 90.24%
CHEMBL2581 P07339 Cathepsin D 89.67% 98.95%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 88.71% 89.62%
CHEMBL1255126 O15151 Protein Mdm4 88.63% 90.20%
CHEMBL2535 P11166 Glucose transporter 88.09% 98.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.71% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.41% 85.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.75% 94.45%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.05% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.86% 86.33%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 82.16% 100.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.21% 99.17%

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.
Zingiber officinale

Cross-Links

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PubChem 53320292
NPASS NPC181969
ChEMBL CHEMBL1682391
LOTUS LTS0166462
wikiData Q105217013