2-[2-(3-Hydroxyphenyl)ethyl]-4,6-dimethoxyphenol

Details

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Internal ID f212452e-1afe-42a1-ab27-f701124f19ee
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 2-[2-(3-hydroxyphenyl)ethyl]-4,6-dimethoxyphenol
SMILES (Canonical) COC1=CC(=C(C(=C1)OC)O)CCC2=CC(=CC=C2)O
SMILES (Isomeric) COC1=CC(=C(C(=C1)OC)O)CCC2=CC(=CC=C2)O
InChI InChI=1S/C16H18O4/c1-19-14-9-12(16(18)15(10-14)20-2)7-6-11-4-3-5-13(17)8-11/h3-5,8-10,17-18H,6-7H2,1-2H3
InChI Key KFZSPLBNNZKAHQ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H18O4
Molecular Weight 274.31 g/mol
Exact Mass 274.12050905 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 3.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-[2-(3-Hydroxyphenyl)ethyl]-4,6-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.70% 96.09%
CHEMBL240 Q12809 HERG 96.12% 89.76%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.99% 91.11%
CHEMBL2581 P07339 Cathepsin D 94.32% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.16% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.67% 99.17%
CHEMBL2535 P11166 Glucose transporter 91.18% 98.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.63% 99.15%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.52% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 87.98% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.91% 94.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 87.44% 92.62%
CHEMBL1255126 O15151 Protein Mdm4 84.71% 90.20%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.69% 95.89%
CHEMBL4208 P20618 Proteasome component C5 84.57% 90.00%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 84.32% 95.89%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 84.18% 95.50%
CHEMBL3192 Q9BY41 Histone deacetylase 8 81.64% 93.99%
CHEMBL1907 P15144 Aminopeptidase N 80.18% 93.31%

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.
Bulbophyllum protractum

Cross-Links

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PubChem 85711443
LOTUS LTS0122486
wikiData Q105140639