Karuquinone A

Details

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Internal ID eb602131-0245-4e7c-b918-10eb943f8257
Taxonomy Benzenoids > Naphthalenes > Naphthoquinones
IUPAC Name 5,8-dihydroxy-6-methyl-7-(2-oxopropyl)-2,3-dihydronaphthalene-1,4-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H14O5/c1-6(15)5-8-7(2)13(18)11-9(16)3-4-10(17)12(11)14(8)19/h18-19H,3-5H2,1-2H3
InChI Key ZQIYBGRIURFSLB-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C14H14O5
Molecular Weight 262.26 g/mol
Exact Mass 262.08412354 g/mol
Topological Polar Surface Area (TPSA) 91.70 Ų
XlogP 1.50

Synonyms

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CHEMBL3334765

2D Structure

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2D Structure of Karuquinone A

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 95.17% 91.11%
CHEMBL2581 P07339 Cathepsin D 94.08% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.47% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.04% 85.14%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.12% 99.23%

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.
There are no matching plants.

Cross-Links

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PubChem 86275690
LOTUS LTS0044323
wikiData Q77310163