8-Hydroxy-5-methoxy-3-phenylfuro[3,2-b]chromen-2-one

Details

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Internal ID 8970487e-723f-47dc-8cc9-7f97ea25d448
Taxonomy Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins
IUPAC Name 8-hydroxy-5-methoxy-3-phenylfuro[3,2-b]chromen-2-one
SMILES (Canonical) COC1=C2C(=C(C=C1)O)C=C3C(=C(C(=O)O3)C4=CC=CC=C4)O2
SMILES (Isomeric) COC1=C2C(=C(C=C1)O)C=C3C(=C(C(=O)O3)C4=CC=CC=C4)O2
InChI InChI=1S/C18H12O5/c1-21-13-8-7-12(19)11-9-14-17(23-16(11)13)15(18(20)22-14)10-5-3-2-4-6-10/h2-9,19H,1H3
InChI Key JMVRQHLTUBNMPU-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H12O5
Molecular Weight 308.30 g/mol
Exact Mass 308.06847348 g/mol
Topological Polar Surface Area (TPSA) 65.00 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 8-Hydroxy-5-methoxy-3-phenylfuro[3,2-b]chromen-2-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.96% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.68% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.32% 86.33%
CHEMBL2581 P07339 Cathepsin D 93.25% 98.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 93.16% 99.15%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.55% 94.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.47% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.98% 89.00%
CHEMBL1255126 O15151 Protein Mdm4 89.04% 90.20%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 88.81% 95.50%
CHEMBL1951 P21397 Monoamine oxidase A 86.39% 91.49%
CHEMBL2535 P11166 Glucose transporter 85.86% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.43% 99.17%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 80.27% 96.67%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 102384477
LOTUS LTS0074577
wikiData Q105131696