10-Hydroxy-8-(10-hydroxy-7-methoxy-3-methyl-1,6,9-trioxo-3,4-dihydrobenzo[g]isochromen-8-yl)-7-methoxy-3-methylbenzo[g]isochromene-1,6,9-trione

Details

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Internal ID e44fd0bd-67f9-4cdd-b20e-07f3a467c1d5
Taxonomy Phenylpropanoids and polyketides > Isochromanequinones
IUPAC Name 10-hydroxy-8-(10-hydroxy-7-methoxy-3-methyl-1,6,9-trioxo-3,4-dihydrobenzo[g]isochromen-8-yl)-7-methoxy-3-methylbenzo[g]isochromene-1,6,9-trione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C30H20O12/c1-9-5-11-7-13-17(23(33)15(11)29(37)41-9)25(35)19(27(39-3)21(13)31)20-26(36)18-14(22(32)28(20)40-4)8-12-6-10(2)42-30(38)16(12)24(18)34/h5,7-8,10,33-34H,6H2,1-4H3
InChI Key FWPNUDGFIYCCNI-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C30H20O12
Molecular Weight 572.50 g/mol
Exact Mass 572.09547607 g/mol
Topological Polar Surface Area (TPSA) 180.00 Ų
XlogP 4.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 10-Hydroxy-8-(10-hydroxy-7-methoxy-3-methyl-1,6,9-trioxo-3,4-dihydrobenzo[g]isochromen-8-yl)-7-methoxy-3-methylbenzo[g]isochromene-1,6,9-trione

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
CHEMBL1951 P21397 Monoamine oxidase A 99.24% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.39% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.67% 95.56%
CHEMBL2581 P07339 Cathepsin D 94.60% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 93.76% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.73% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.29% 89.00%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 87.88% 96.21%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 87.32% 96.67%
CHEMBL3401 O75469 Pregnane X receptor 87.20% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.45% 86.33%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 85.64% 96.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.18% 96.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.99% 97.09%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 82.72% 93.03%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.26% 90.71%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 81.78% 94.42%
CHEMBL2535 P11166 Glucose transporter 81.73% 98.75%

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 163014103
LOTUS LTS0105815
wikiData Q105003472