2',3-Dihydroxy-5-methoxybiphenyl

Details

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Internal ID 5ccb730f-c6cc-4404-a11d-302ed87667ed
Taxonomy Benzenoids > Benzene and substituted derivatives > Biphenols
IUPAC Name 3-(2-hydroxyphenyl)-5-methoxyphenol
SMILES (Canonical) COC1=CC(=CC(=C1)O)C2=CC=CC=C2O
SMILES (Isomeric) COC1=CC(=CC(=C1)O)C2=CC=CC=C2O
InChI InChI=1S/C13H12O3/c1-16-11-7-9(6-10(14)8-11)12-4-2-3-5-13(12)15/h2-8,14-15H,1H3
InChI Key XBBDTINCHJPZGW-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C13H12O3
Molecular Weight 216.23 g/mol
Exact Mass 216.078644241 g/mol
Topological Polar Surface Area (TPSA) 49.70 Ų
XlogP 2.80

Synonyms

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2',3-dihydroxy-5-methoxybiphenyl
CHEMBL1269114
DTXSID20678604
1248374-17-5
5'-Methoxy[1,1'-biphenyl]-2,3'-diol
Q27138965

2D Structure

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2D Structure of 2',3-Dihydroxy-5-methoxybiphenyl

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 96.78% 91.11%
CHEMBL2581 P07339 Cathepsin D 95.72% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 93.41% 91.49%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 92.27% 99.15%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.89% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.26% 96.09%
CHEMBL2535 P11166 Glucose transporter 89.12% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.90% 86.33%
CHEMBL4208 P20618 Proteasome component C5 88.59% 90.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.34% 94.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.30% 99.17%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 83.84% 95.50%
CHEMBL3401 O75469 Pregnane X receptor 83.05% 94.73%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 82.22% 93.65%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 82.12% 91.71%
CHEMBL1907 P15144 Aminopeptidase N 82.07% 93.31%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.56% 96.95%

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.
Rhaphiolepis indica

Cross-Links

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PubChem 49831391
LOTUS LTS0093868
wikiData Q27138965