4,5-Dihydroxynaphthalene-1,2-dione

Details

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Internal ID 97d8a0e0-e36c-43d8-a755-8f9838f4d049
Taxonomy Benzenoids > Naphthalenes > Naphthoquinones
IUPAC Name 4,5-dihydroxynaphthalene-1,2-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H6O4/c11-6-3-1-2-5-9(6)7(12)4-8(13)10(5)14/h1-4,11-12H
InChI Key AQMHLTLDUPBBEF-UHFFFAOYSA-N
Popularity 11 references in papers

Physical and Chemical Properties

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Molecular Formula C10H6O4
Molecular Weight 190.15 g/mol
Exact Mass 190.02660867 g/mol
Topological Polar Surface Area (TPSA) 74.60 Ų
XlogP 1.00

Synonyms

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4,5-dihydroxynaphthalene-1,2-dione
DTXSID20964190
RefChem:285448
DTXCID401391896
4923-55-1
2-Hydroxyjuglone
1,4-Naphthalenedione, 2,5-dihydroxy-
2,5-Dihydroxynaphthoquinone
2,5-Dihydroxy-1,4-naphthoquinone
1,4-NAPHTHOQUINONE, 2,5-DIHYDROXY-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 4,5-Dihydroxynaphthalene-1,2-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
CHEMBL3797 Q13315 Serine-protein kinase ATM 794.3 nM
Potency
via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2581 P07339 Cathepsin D 96.66% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.75% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.71% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 89.96% 91.49%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 88.54% 96.67%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.04% 99.23%
CHEMBL1937 Q92769 Histone deacetylase 2 87.22% 94.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 85.59% 99.15%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 85.49% 93.03%
CHEMBL3401 O75469 Pregnane X receptor 80.65% 94.73%
CHEMBL2535 P11166 Glucose transporter 80.32% 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 21035
LOTUS LTS0205892
wikiData Q82946123