[2]Benzopyrano[4,3-b][1]benzopyran-7(5H)-one, 2,3,8,10-tetramethoxy-

Details

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Internal ID 0a493833-9f4d-41dc-8dd9-cfdffc84d31a
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids
IUPAC Name 2,3,8,10-tetramethoxy-5H-isochromeno[4,3-b]chromen-7-one
SMILES (Canonical) COC1=CC2=C(C(=C1)OC)C(=O)C3=C(O2)C4=CC(=C(C=C4CO3)OC)OC
SMILES (Isomeric) COC1=CC2=C(C(=C1)OC)C(=O)C3=C(O2)C4=CC(=C(C=C4CO3)OC)OC
InChI InChI=1S/C20H18O7/c1-22-11-6-15(25-4)17-16(7-11)27-19-12-8-14(24-3)13(23-2)5-10(12)9-26-20(19)18(17)21/h5-8H,9H2,1-4H3
InChI Key TUFMERGRUFLWPI-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H18O7
Molecular Weight 370.40 g/mol
Exact Mass 370.10525291 g/mol
Topological Polar Surface Area (TPSA) 72.40 Ų
XlogP 2.80

Synonyms

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TUFMERGRUFLWPI-UHFFFAOYSA-N
[2]Benzopyrano[4,3-b][1]benzopyran-7(5H)-one, 2,3,8,10-tetramethoxy-
2,3,8,10-Tetramethoxy-[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one
2,3,8,10-Tetramethoxyisochromeno[4,3-b]chromen-7(5H)-one #

2D Structure

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2D Structure of [2]Benzopyrano[4,3-b][1]benzopyran-7(5H)-one, 2,3,8,10-tetramethoxy-

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.14% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.85% 94.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.45% 91.11%
CHEMBL3192 Q9BY41 Histone deacetylase 8 91.23% 93.99%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.30% 89.00%
CHEMBL2581 P07339 Cathepsin D 87.78% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.73% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.47% 96.09%
CHEMBL2535 P11166 Glucose transporter 86.07% 98.75%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.39% 85.14%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 83.76% 96.77%
CHEMBL4208 P20618 Proteasome component C5 83.76% 90.00%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 83.24% 82.67%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 81.29% 96.67%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.79% 92.94%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.58% 95.89%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 80.56% 94.42%

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.
Acacia carneorum

Cross-Links

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PubChem 632840
LOTUS LTS0137539
wikiData Q105264738