8-(3',4'-Dimethoxyphenyl)-2-methoxynaphtho-1,4-quinone

Details

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Internal ID 43d3cab3-dafb-46f9-91c2-ff70dc028a41
Taxonomy Benzenoids > Naphthalenes > Naphthoquinones
IUPAC Name 8-(3,4-dimethoxyphenyl)-2-methoxynaphthalene-1,4-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H16O5/c1-22-15-8-7-11(9-16(15)23-2)12-5-4-6-13-14(20)10-17(24-3)19(21)18(12)13/h4-10H,1-3H3
InChI Key DBMKQPDXXBFDAV-UHFFFAOYSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C19H16O5
Molecular Weight 324.30 g/mol
Exact Mass 324.09977361 g/mol
Topological Polar Surface Area (TPSA) 61.80 Ų
XlogP 3.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 8-(3',4'-Dimethoxyphenyl)-2-methoxynaphtho-1,4-quinone

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
CHEMBL2581 P07339 Cathepsin D 98.46% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 96.53% 86.33%
CHEMBL230 P35354 Cyclooxygenase-2 95.15% 89.63%
CHEMBL1907 P15144 Aminopeptidase N 94.68% 93.31%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.30% 95.56%
CHEMBL1255126 O15151 Protein Mdm4 92.16% 90.20%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 90.18% 96.67%
CHEMBL2535 P11166 Glucose transporter 89.58% 98.75%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.37% 85.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.17% 94.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.06% 96.00%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 88.70% 94.03%
CHEMBL5747 Q92793 CREB-binding protein 87.75% 95.12%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 87.74% 92.38%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.70% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.83% 89.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.68% 97.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.31% 95.89%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 81.47% 96.00%
CHEMBL2443 P49862 Kallikrein 7 81.44% 94.00%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 80.28% 100.00%

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.
Zingiber montanum

Cross-Links

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PubChem 23259462
LOTUS LTS0201318
wikiData Q104974577