Papulosic acid

Details

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Internal ID 1cc3d9f6-5beb-4e18-a4a9-5f79cbdeda90
Taxonomy Phenylpropanoids and polyketides > Depsides and depsidones
IUPAC Name 3-(2,4-dihydroxy-6-methylphenoxy)carbonyl-2,4-dihydroxy-6-methylbenzoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H14O8/c1-6-4-9(18)12(13(20)11(6)15(21)22)16(23)24-14-7(2)3-8(17)5-10(14)19/h3-5,17-20H,1-2H3,(H,21,22)
InChI Key GELGDWPNJIQPMI-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C16H14O8
Molecular Weight 334.28 g/mol
Exact Mass 334.06886740 g/mol
Topological Polar Surface Area (TPSA) 145.00 Ų
XlogP 2.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Papulosic acid

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
CHEMBL3194 P02766 Transthyretin 93.44% 90.71%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.74% 91.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.69% 99.15%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 89.37% 94.42%
CHEMBL2581 P07339 Cathepsin D 86.38% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 86.01% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.37% 99.17%
CHEMBL1913 P09619 Platelet-derived growth factor receptor beta 84.95% 95.70%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.07% 89.00%
CHEMBL4208 P20618 Proteasome component C5 84.06% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.69% 86.33%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.15% 95.50%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.92% 93.56%

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 139584415
LOTUS LTS0208994
wikiData Q77368551