Porric acid B

Details

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Internal ID 1210ebe0-e0d6-4e2e-888d-0a8904782703
Taxonomy Organoheterocyclic compounds > Benzofurans > Dibenzofurans
IUPAC Name 2,6-dihydroxy-7-methoxy-9-methyldibenzofuran-4-carboxylic acid
SMILES (Canonical) CC1=CC(=C(C2=C1C3=C(O2)C(=CC(=C3)O)C(=O)O)O)OC
SMILES (Isomeric) CC1=CC(=C(C2=C1C3=C(O2)C(=CC(=C3)O)C(=O)O)O)OC
InChI InChI=1S/C15H12O6/c1-6-3-10(20-2)12(17)14-11(6)8-4-7(16)5-9(15(18)19)13(8)21-14/h3-5,16-17H,1-2H3,(H,18,19)
InChI Key YRDAFVVZXCAVIU-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H12O6
Molecular Weight 288.25 g/mol
Exact Mass 288.06338810 g/mol
Topological Polar Surface Area (TPSA) 100.00 Ų
XlogP 2.80

Synonyms

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2,6-Dihydroxy-7-methoxy-9-methyl-4-dibenzofurancarboxylic acid
CHEBI:174744
DTXSID301176786
207285-02-7
2,6-dihydroxy-7-methoxy-9-methyldibenzouran-4-carboxylic acid
4,10-dihydroxy-11-methoxy-13-methyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-6-carboxylic acid

2D Structure

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2D Structure of Porric acid B

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 97.01% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.03% 95.56%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 92.30% 94.42%
CHEMBL3194 P02766 Transthyretin 90.82% 90.71%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.77% 94.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.84% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.66% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.20% 99.23%
CHEMBL1811 P34995 Prostanoid EP1 receptor 87.15% 95.71%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.56% 85.14%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 85.08% 95.50%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.18% 89.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.79% 94.45%
CHEMBL2535 P11166 Glucose transporter 83.29% 98.75%
CHEMBL2581 P07339 Cathepsin D 83.18% 98.95%
CHEMBL3714130 P46095 G-protein coupled receptor 6 83.11% 97.36%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 82.13% 93.00%
CHEMBL1255126 O15151 Protein Mdm4 81.19% 90.20%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 80.91% 81.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 80.75% 99.15%
CHEMBL5905 Q04828 Aldo-keto reductase family 1 member C1 80.15% 91.79%

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.
Allium ampeloprasum
Allium obliquum

Cross-Links

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PubChem 478957
LOTUS LTS0168712
wikiData Q104664552