5,9-Dimethoxyfuro[3,2-g]chromen-7-one

Details

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Internal ID 514842a3-de2e-4af3-9b30-0f9c6c85f6e7
Taxonomy Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens > 8-methoxypsoralens
IUPAC Name 5,9-dimethoxyfuro[3,2-g]chromen-7-one
SMILES (Canonical) COC1=CC(=O)OC2=C1C=C3C=COC3=C2OC
SMILES (Isomeric) COC1=CC(=O)OC2=C1C=C3C=COC3=C2OC
InChI InChI=1S/C13H10O5/c1-15-9-6-10(14)18-12-8(9)5-7-3-4-17-11(7)13(12)16-2/h3-6H,1-2H3
InChI Key KAWXJSCFXZDZAR-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C13H10O5
Molecular Weight 246.21 g/mol
Exact Mass 246.05282342 g/mol
Topological Polar Surface Area (TPSA) 57.90 Ų
XlogP 1.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5,9-Dimethoxyfuro[3,2-g]chromen-7-one

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
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 96.12% 94.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.17% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.30% 95.56%
CHEMBL1937 Q92769 Histone deacetylase 2 90.09% 94.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.76% 99.23%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.53% 94.45%
CHEMBL2581 P07339 Cathepsin D 88.26% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.59% 86.33%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.13% 93.99%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 85.81% 94.03%
CHEMBL4040 P28482 MAP kinase ERK2 82.70% 83.82%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.11% 99.17%
CHEMBL1255126 O15151 Protein Mdm4 81.17% 90.20%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.90% 96.00%

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.
Kitagawia praeruptora

Cross-Links

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PubChem 6428799
LOTUS LTS0019372
wikiData Q105138013