4,9-dihydroxy-6-methoxy-8-methyl-3,4-dihydro-2H-anthracen-1-one

Details

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Internal ID 40958dc6-d675-42bb-8a62-b7e74752206c
Taxonomy Benzenoids > Anthracenes
IUPAC Name 4,9-dihydroxy-6-methoxy-8-methyl-3,4-dihydro-2H-anthracen-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H16O4/c1-8-5-10(20-2)6-9-7-11-12(17)3-4-13(18)15(11)16(19)14(8)9/h5-7,12,17,19H,3-4H2,1-2H3
InChI Key ZQENMXXRMQUJJM-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H16O4
Molecular Weight 272.29 g/mol
Exact Mass 272.10485899 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 2.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4,9-dihydroxy-6-methoxy-8-methyl-3,4-dihydro-2H-anthracen-1-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 99.03% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.73% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.11% 85.14%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 91.68% 92.68%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.89% 99.15%
CHEMBL2581 P07339 Cathepsin D 90.55% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.50% 99.23%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.93% 92.94%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.76% 94.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.42% 95.89%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.96% 90.71%
CHEMBL4581 P52732 Kinesin-like protein 1 83.02% 93.18%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 82.58% 95.89%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 82.23% 91.79%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 81.75% 96.21%
CHEMBL4208 P20618 Proteasome component C5 81.75% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.55% 86.33%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.27% 91.07%
CHEMBL2056 P21728 Dopamine D1 receptor 80.41% 91.00%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 80.40% 93.03%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.18% 93.99%

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 162815492
LOTUS LTS0216727
wikiData Q104202678