Citromycetin

Details

Top
Internal ID 4c190776-51ca-425e-9d35-4b0279639a6e
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Salicylic acid and derivatives
IUPAC Name 8,9-dihydroxy-2-methyl-4-oxo-5H-pyrano[3,2-c]chromene-10-carboxylic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H10O7/c1-5-2-7(15)6-4-20-9-3-8(16)12(17)11(14(18)19)10(9)13(6)21-5/h2-3,16-17H,4H2,1H3,(H,18,19)
InChI Key PKEPGKZPVDAVKI-UHFFFAOYSA-N
Popularity 54 references in papers

Physical and Chemical Properties

Top
Molecular Formula C14H10O7
Molecular Weight 290.22 g/mol
Exact Mass 290.04265265 g/mol
Topological Polar Surface Area (TPSA) 113.00 Ų
XlogP 1.10

Synonyms

Top
478-60-4
Frequentic acid
NSC53584
NSC 53584
NSC-53584
6LQ9JP1YA7
8,9-dihydroxy-2-methyl-4-oxo-5H-pyrano[3,2-c]chromene-10-carboxylic acid
8,9-Dihydroxy-2-methyl-4-oxo-4H,5H-pyrano[3,2-c]chromene-10-carboxylic acid
4H,5H-Pyrano[3,2-c][1]benzopyran-10-carboxylicacid, 8,9-dihydroxy-2-methyl-4-oxo-
8,9-Dihydroxy-2-methyl-4-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-10-carboxylic acid
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of Citromycetin

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 97.97% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.58% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.44% 94.45%
CHEMBL3401 O75469 Pregnane X receptor 90.21% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.40% 89.00%
CHEMBL2581 P07339 Cathepsin D 89.05% 98.95%
CHEMBL3194 P02766 Transthyretin 88.69% 90.71%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.49% 99.23%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 88.20% 93.40%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.52% 86.33%
CHEMBL4208 P20618 Proteasome component C5 83.47% 90.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.79% 94.00%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 82.18% 94.80%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.98% 100.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.80% 99.15%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.06% 90.71%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 80.53% 94.42%

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.
There are no matching plants.

Cross-Links

Top
PubChem 65029
LOTUS LTS0234100
wikiData Q15410873