Venemycin

Details

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Internal ID 48fe759a-56f9-4d68-b9a2-da59f3ccf397
Taxonomy Benzenoids > Phenols > Benzenediols > Resorcinols
IUPAC Name 6-(3,5-dihydroxyphenyl)-4-hydroxypyran-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H8O5/c12-7-1-6(2-8(13)3-7)10-4-9(14)5-11(15)16-10/h1-5,12-14H
InChI Key HNPIAKGZUJZKED-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C11H8O5
Molecular Weight 220.18 g/mol
Exact Mass 220.03717335 g/mol
Topological Polar Surface Area (TPSA) 87.00 Ų
XlogP 1.10

Synonyms

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SCHEMBL29369936
CHEBI:218742
6-(3,5-dihydroxyphenyl)-4-hydroxypyran-2-one

2D Structure

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2D Structure of Venemycin

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 96.88% 91.11%
CHEMBL2581 P07339 Cathepsin D 86.62% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.10% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 85.21% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.11% 95.56%
CHEMBL3194 P02766 Transthyretin 84.14% 90.71%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.69% 99.15%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.42% 90.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.37% 89.00%

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.
There are no matching plants.

Cross-Links

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PubChem 54686846
LOTUS LTS0098232
wikiData Q105031005