Osbeckic acid

Details

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Internal ID 25403058-c994-4d01-ab48-3d8c937cc7ae
Taxonomy Organoheterocyclic compounds > Furans > Furoic acid and derivatives > Furoic acids
IUPAC Name 5-[carboxy(hydroxy)methyl]furan-2-carboxylic acid
SMILES (Canonical) C1=C(OC(=C1)C(=O)O)C(C(=O)O)O
SMILES (Isomeric) C1=C(OC(=C1)C(=O)O)C(C(=O)O)O
InChI InChI=1S/C7H6O6/c8-5(7(11)12)3-1-2-4(13-3)6(9)10/h1-2,5,8H,(H,9,10)(H,11,12)
InChI Key UAFTYLJFMASQBP-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C7H6O6
Molecular Weight 186.12 g/mol
Exact Mass 186.01643791 g/mol
Topological Polar Surface Area (TPSA) 108.00 Ų
XlogP -0.20

Synonyms

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5-[carboxy(hydroxy)methyl]furan-2-carboxylic acid

2D Structure

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2D Structure of Osbeckic 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
CHEMBL1293277 O15118 Niemann-Pick C1 protein 90.17% 81.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.43% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.04% 95.56%
CHEMBL2581 P07339 Cathepsin D 84.18% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.77% 99.17%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.91% 95.50%
CHEMBL1811 P34995 Prostanoid EP1 receptor 81.07% 95.71%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.38% 91.11%

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.
Osbeckia chinensis

Cross-Links

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PubChem 13965143
LOTUS LTS0124172
wikiData Q105268728