Porric acid A

Details

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Internal ID 53144ea5-8079-4a89-9d7f-350b9d64923c
Taxonomy Organoheterocyclic compounds > Benzofurans > Dibenzofurans
IUPAC Name 6-hydroxy-2,7-dimethoxy-9-methyldibenzofuran-4-carboxylic acid
SMILES (Canonical) CC1=CC(=C(C2=C1C3=C(O2)C(=CC(=C3)OC)C(=O)O)O)OC
SMILES (Isomeric) CC1=CC(=C(C2=C1C3=C(O2)C(=CC(=C3)OC)C(=O)O)O)OC
InChI InChI=1S/C16H14O6/c1-7-4-11(21-3)13(17)15-12(7)9-5-8(20-2)6-10(16(18)19)14(9)22-15/h4-6,17H,1-3H3,(H,18,19)
InChI Key SXRYQQFROYXBDQ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H14O6
Molecular Weight 302.28 g/mol
Exact Mass 302.07903816 g/mol
Topological Polar Surface Area (TPSA) 89.10 Ų
XlogP 3.10

Synonyms

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CHEBI:174883
DTXSID701177536
207285-00-5
6-Hydroxy-2,7-dimethoxy-9-methyl-4-dibenzofurancarboxylic acid
6-hydroxy-2,7-dimethoxy-9-methyldibenzouran-4-carboxylic acid
6-Hydroxy-27-dimethoxy-9-methyl-4-dibenzofurancarboxylic acid
10-hydroxy-4,11-dimethoxy-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 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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.22% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.30% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.71% 85.14%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 92.69% 94.42%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.08% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.84% 99.15%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.28% 99.17%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 88.17% 95.50%
CHEMBL3714130 P46095 G-protein coupled receptor 6 87.85% 97.36%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 86.63% 93.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.78% 86.33%
CHEMBL3194 P02766 Transthyretin 84.90% 90.71%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 84.72% 81.11%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.00% 99.23%
CHEMBL2535 P11166 Glucose transporter 83.70% 98.75%
CHEMBL1811 P34995 Prostanoid EP1 receptor 83.48% 95.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.09% 94.45%
CHEMBL5905 Q04828 Aldo-keto reductase family 1 member C1 82.41% 91.79%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.93% 89.00%
CHEMBL340 P08684 Cytochrome P450 3A4 80.44% 91.19%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.27% 96.00%

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.
Allium ampeloprasum
Allium obliquum

Cross-Links

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PubChem 478958
LOTUS LTS0018285
wikiData Q104664551