2-(3-Hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol

Details

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Internal ID 0ac559d2-7133-4016-a537-5daae97f10a7
Taxonomy Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
IUPAC Name 2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol
SMILES (Canonical) COC1=CC(=CC(=C1)O)C2=CC3=C(C=CC=C3O2)O
SMILES (Isomeric) COC1=CC(=CC(=C1)O)C2=CC3=C(C=CC=C3O2)O
InChI InChI=1S/C15H12O4/c1-18-11-6-9(5-10(16)7-11)15-8-12-13(17)3-2-4-14(12)19-15/h2-8,16-17H,1H3
InChI Key LNYJPSJEXBTRPO-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C15H12O4
Molecular Weight 256.25 g/mol
Exact Mass 256.07355886 g/mol
Topological Polar Surface Area (TPSA) 62.80 Ų
XlogP 3.20

Synonyms

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439900-84-2
2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol
STEMOFURAN B
4-benzofuranol, 2-(3-hydroxy-5-methoxyphenyl)-
CHEMBL511197
HY-N10779
AKOS040734903
FS-7753
CS-0636026
InChI=1/C15H12O4/c1-18-11-6-9(5-10(16)7-11)15-8-12-13(17)3-2-4-14(12)19-15/h2-8,16-17H,1H

2D Structure

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2D Structure of 2-(3-Hydroxy-5-methoxyphenyl)-1-benzofuran-4-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 98.96% 91.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 94.90% 99.15%
CHEMBL2581 P07339 Cathepsin D 93.82% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.46% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.09% 95.56%
CHEMBL240 Q12809 HERG 91.62% 89.76%
CHEMBL3401 O75469 Pregnane X receptor 89.30% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.11% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.75% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.20% 94.45%
CHEMBL2535 P11166 Glucose transporter 86.16% 98.75%
CHEMBL1907 P15144 Aminopeptidase N 85.77% 93.31%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 85.42% 93.65%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 84.32% 100.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 83.62% 93.99%
CHEMBL1951 P21397 Monoamine oxidase A 83.46% 91.49%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 82.28% 92.08%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.18% 99.23%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.10% 85.14%

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.
Gnetum montanum
Stemona collinsae

Cross-Links

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PubChem 641364
LOTUS LTS0083072
wikiData Q105154574