2-(4-Hydroxy-2-methoxyphenyl)-5-methoxy-1-benzofuran-6-ol

Details

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Internal ID b0e561d0-dcda-4b11-8a3b-48fd6d7a821a
Taxonomy Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
IUPAC Name 2-(4-hydroxy-2-methoxyphenyl)-5-methoxy-1-benzofuran-6-ol
SMILES (Canonical) COC1=C(C=CC(=C1)O)C2=CC3=CC(=C(C=C3O2)O)OC
SMILES (Isomeric) COC1=C(C=CC(=C1)O)C2=CC3=CC(=C(C=C3O2)O)OC
InChI InChI=1S/C16H14O5/c1-19-14-7-10(17)3-4-11(14)15-5-9-6-16(20-2)12(18)8-13(9)21-15/h3-8,17-18H,1-2H3
InChI Key DZCYWLFZZXXDTO-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H14O5
Molecular Weight 286.28 g/mol
Exact Mass 286.08412354 g/mol
Topological Polar Surface Area (TPSA) 72.10 Ų
XlogP 3.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(4-Hydroxy-2-methoxyphenyl)-5-methoxy-1-benzofuran-6-ol

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 96.64% 91.11%
CHEMBL242 Q92731 Estrogen receptor beta 95.49% 98.35%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.00% 94.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.52% 85.14%
CHEMBL2581 P07339 Cathepsin D 91.05% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.75% 86.33%
CHEMBL3194 P02766 Transthyretin 88.08% 90.71%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 87.14% 89.62%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.63% 99.15%
CHEMBL4208 P20618 Proteasome component C5 86.56% 90.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.30% 99.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.03% 95.56%
CHEMBL3492 P49721 Proteasome Macropain subunit 84.37% 90.24%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.64% 96.09%
CHEMBL301 P24941 Cyclin-dependent kinase 2 82.02% 91.23%
CHEMBL2535 P11166 Glucose transporter 81.53% 98.75%

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.
Mucuna birdwoodiana

Cross-Links

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PubChem 46177524
LOTUS LTS0173511
wikiData Q104991740