Porric acid C

Details

Top
Internal ID 0c50a357-7954-4d85-b5fd-36768a57f983
Taxonomy Organoheterocyclic compounds > Benzofurans > Dibenzofurans
IUPAC Name 2,7-dihydroxy-9-methyldibenzofuran-4-carboxylic acid
SMILES (Canonical) CC1=CC(=CC2=C1C3=C(O2)C(=CC(=C3)O)C(=O)O)O
SMILES (Isomeric) CC1=CC(=CC2=C1C3=C(O2)C(=CC(=C3)O)C(=O)O)O
InChI InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(14(17)18)13(9)19-11/h2-5,15-16H,1H3,(H,17,18)
InChI Key XERKTCDLFDGUHP-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C14H10O5
Molecular Weight 258.23 g/mol
Exact Mass 258.05282342 g/mol
Topological Polar Surface Area (TPSA) 90.90 Ų
XlogP 2.80

Synonyms

Top
207285-04-9
DTXSID301209399
4-Dibenzofurancarboxylic acid, 2,7-dihydroxy-9-methyl-
4,11-dihydroxy-13-methyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-6-carboxylic acid

2D Structure

Top
2D Structure of Porric acid C

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 94.67% 91.11%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 94.50% 87.67%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.86% 95.56%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 92.55% 81.11%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 91.98% 94.42%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.31% 99.23%
CHEMBL3401 O75469 Pregnane X receptor 89.05% 94.73%
CHEMBL1811 P34995 Prostanoid EP1 receptor 88.67% 95.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.59% 89.00%
CHEMBL3194 P02766 Transthyretin 86.87% 90.71%
CHEMBL2581 P07339 Cathepsin D 86.77% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.65% 99.17%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.83% 95.50%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 80.72% 83.57%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 80.60% 93.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.02% 86.33%

Plants that contains it

Top
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

Top
PubChem 478956
LOTUS LTS0075029
wikiData Q104664553