Vinaxanthone

Details

Top
Internal ID 7236bd1d-bb0c-422a-aa62-3709d707c289
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones
IUPAC Name 5,7-diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxochromen-3-yl)-2,3-dihydroxy-9-oxoxanthene-1-carboxylic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C28H16O14/c1-7(29)9-3-10-22(33)19-15(5-13(32)25(36)21(19)28(39)40)42-26(10)16(8(2)30)17(9)11-6-41-14-4-12(31)24(35)20(27(37)38)18(14)23(11)34/h3-6,31-32,35-36H,1-2H3,(H,37,38)(H,39,40)
InChI Key MEYYEMQDVMMNNR-UHFFFAOYSA-N
Popularity 17 references in papers

Physical and Chemical Properties

Top
Molecular Formula C28H16O14
Molecular Weight 576.40 g/mol
Exact Mass 576.05400518 g/mol
Topological Polar Surface Area (TPSA) 242.00 Ų
XlogP 2.30

Synonyms

Top
133293-89-7
CHEMBL510257
5,7-diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxochromen-3-yl)-2,3-dihydroxy-9-oxoxanthene-1-carboxylic acid
Vina-xanthone
411F
SCHEMBL9382496
DTXSID50928043
HY-N9480
BDBM50259934
SM-345431
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of Vinaxanthone

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 99.41% 91.11%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 95.81% 94.42%
CHEMBL2581 P07339 Cathepsin D 94.99% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.07% 89.00%
CHEMBL1811 P34995 Prostanoid EP1 receptor 91.41% 95.71%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.19% 99.23%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.17% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.57% 85.14%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 86.80% 87.67%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.56% 86.33%
CHEMBL3194 P02766 Transthyretin 85.53% 90.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.70% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.09% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.82% 99.15%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 81.76% 81.11%
CHEMBL3401 O75469 Pregnane X receptor 80.68% 94.73%

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 5487402
LOTUS LTS0197848
wikiData Q105189902