Galvaquinone A

Details

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Internal ID 9cee503a-0b75-4895-ac28-c41d02b54170
Taxonomy Benzenoids > Anthracenes > Anthraquinones
IUPAC Name 1,8-dihydroxy-3-methyl-2-(4-methylpentanoyl)anthracene-9,10-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H20O5/c1-10(2)7-8-15(23)16-11(3)9-13-18(20(16)25)21(26)17-12(19(13)24)5-4-6-14(17)22/h4-6,9-10,22,25H,7-8H2,1-3H3
InChI Key OAWSKJJZFQTYDQ-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C21H20O5
Molecular Weight 352.40 g/mol
Exact Mass 352.13107373 g/mol
Topological Polar Surface Area (TPSA) 91.70 Ų
XlogP 4.90

Synonyms

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CHEMBL2152647

2D Structure

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2D Structure of Galvaquinone 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
CHEMBL2581 P07339 Cathepsin D 99.31% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.00% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.02% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 94.13% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.63% 89.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 89.41% 93.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.23% 99.15%
CHEMBL2535 P11166 Glucose transporter 88.94% 98.75%
CHEMBL1907 P15144 Aminopeptidase N 88.83% 93.31%
CHEMBL3492 P49721 Proteasome Macropain subunit 88.77% 90.24%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.36% 99.23%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 87.97% 90.71%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.86% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.29% 96.00%
CHEMBL1951 P21397 Monoamine oxidase A 85.48% 91.49%
CHEMBL4208 P20618 Proteasome component C5 84.84% 90.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 83.92% 97.21%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.30% 86.33%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 83.16% 100.00%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 82.97% 96.38%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 80.49% 83.10%

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 71458451
LOTUS LTS0223355
wikiData Q77511203