4-(4-Methoxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl)benzene-1,3-diol

Details

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Internal ID 1c553e1e-90da-4193-8aad-a0080ba24754
Taxonomy Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
IUPAC Name 4-(4-methoxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl)benzene-1,3-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H20O5/c1-20(2)7-6-13-18(25-20)10-17-14(19(13)23-3)9-16(24-17)12-5-4-11(21)8-15(12)22/h4-5,8-10,21-22H,6-7H2,1-3H3
InChI Key YWINIKYRUNUZAA-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C20H20O5
Molecular Weight 340.40 g/mol
Exact Mass 340.13107373 g/mol
Topological Polar Surface Area (TPSA) 72.10 Ų
XlogP 4.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-(4-Methoxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl)benzene-1,3-diol

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 99.77% 91.11%
CHEMBL242 Q92731 Estrogen receptor beta 98.54% 98.35%
CHEMBL2581 P07339 Cathepsin D 95.22% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.85% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.75% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.50% 95.56%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 90.44% 93.40%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.13% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.92% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.86% 94.45%
CHEMBL2535 P11166 Glucose transporter 89.69% 98.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.19% 99.15%
CHEMBL3192 Q9BY41 Histone deacetylase 8 82.40% 93.99%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 81.13% 95.53%
CHEMBL4208 P20618 Proteasome component C5 80.65% 90.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.46% 95.89%
CHEMBL1907 P15144 Aminopeptidase N 80.43% 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.
Glycyrrhiza uralensis
Glycyrrhiza uralensis
Mitracarpus hirtus

Cross-Links

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PubChem 53234293
NPASS NPC115373
LOTUS LTS0046327
wikiData Q105366681