2-Methoxy-4-(7-methoxy-3-methyl-5-prop-1-enyl-1-benzofuran-2-yl)phenol

Details

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Internal ID ab863ab8-801c-410a-b317-279cb5f5cbb9
Taxonomy Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
IUPAC Name 2-methoxy-4-(7-methoxy-3-methyl-5-prop-1-enyl-1-benzofuran-2-yl)phenol
SMILES (Canonical) CC=CC1=CC2=C(C(=C1)OC)OC(=C2C)C3=CC(=C(C=C3)O)OC
SMILES (Isomeric) CC=CC1=CC2=C(C(=C1)OC)OC(=C2C)C3=CC(=C(C=C3)O)OC
InChI InChI=1S/C20H20O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-11,21H,1-4H3
InChI Key FMRNCDXSOOJISX-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H20O4
Molecular Weight 324.40 g/mol
Exact Mass 324.13615911 g/mol
Topological Polar Surface Area (TPSA) 51.80 Ų
XlogP 4.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-Methoxy-4-(7-methoxy-3-methyl-5-prop-1-enyl-1-benzofuran-2-yl)phenol

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 97.95% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.82% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.42% 89.00%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 92.86% 98.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.91% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.66% 96.00%
CHEMBL3194 P02766 Transthyretin 89.95% 90.71%
CHEMBL1951 P21397 Monoamine oxidase A 89.90% 91.49%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.86% 94.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 89.33% 97.21%
CHEMBL242 Q92731 Estrogen receptor beta 88.67% 98.35%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.53% 99.15%
CHEMBL3401 O75469 Pregnane X receptor 87.37% 94.73%
CHEMBL1907 P15144 Aminopeptidase N 84.29% 93.31%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.28% 92.94%
CHEMBL3438 Q05513 Protein kinase C zeta 82.17% 88.48%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.69% 94.45%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.65% 95.89%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 80.24% 91.71%
CHEMBL1287628 Q9Y5S8 NADPH oxidase 1 80.02% 95.48%

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.
Magnolia kachirachirai
Piper ribesioides
Senna lindheimeriana

Cross-Links

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PubChem 71437692
LOTUS LTS0169237
wikiData Q104997998