(1R)-7,10-dihydroxy-8-methoxy-1,3-dimethyl-1H-benzo[g]isochromene-6,9-dione

Details

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Internal ID 15c9cb54-42b2-4fad-bf82-322bd3e5d507
Taxonomy Phenylpropanoids and polyketides > Isochromanequinones
IUPAC Name (1R)-7,10-dihydroxy-8-methoxy-1,3-dimethyl-1H-benzo[g]isochromene-6,9-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H14O6/c1-6-4-8-5-9-11(13(18)10(8)7(2)22-6)14(19)16(21-3)15(20)12(9)17/h4-5,7,18,20H,1-3H3/t7-/m1/s1
InChI Key SYHCDXCWIIZIQC-SSDOTTSWSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H14O6
Molecular Weight 302.28 g/mol
Exact Mass 302.07903816 g/mol
Topological Polar Surface Area (TPSA) 93.10 Ų
XlogP 2.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1R)-7,10-dihydroxy-8-methoxy-1,3-dimethyl-1H-benzo[g]isochromene-6,9-dione

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 97.18% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.83% 85.14%
CHEMBL1951 P21397 Monoamine oxidase A 95.59% 91.49%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.80% 89.00%
CHEMBL2581 P07339 Cathepsin D 92.20% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.00% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.69% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.37% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 88.74% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.39% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.21% 96.09%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 81.67% 82.38%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.15% 99.15%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 80.71% 96.38%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 80.47% 93.65%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 80.04% 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.
Ventilago vitiensis

Cross-Links

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PubChem 162921803
LOTUS LTS0079958
wikiData Q105263570