1,5,8-Trihydroxy-3-methylxanthone

Details

Top
Internal ID 7047d1c3-a214-4ae7-b242-4d4ca8cf694d
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 1,5,8-trihydroxy-3-methylxanthen-9-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H10O5/c1-6-4-9(17)11-10(5-6)19-14-8(16)3-2-7(15)12(14)13(11)18/h2-5,15-17H,1H3
InChI Key QUYAEOSQFKMXDN-UHFFFAOYSA-N
Popularity 2 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) 87.00 Ų
XlogP 2.80

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 1,5,8-Trihydroxy-3-methylxanthone

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 95.81% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.93% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 92.53% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.19% 89.00%
CHEMBL1951 P21397 Monoamine oxidase A 91.00% 91.49%
CHEMBL2581 P07339 Cathepsin D 90.31% 98.95%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 90.05% 93.65%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.31% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.11% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.28% 86.33%
CHEMBL3194 P02766 Transthyretin 84.09% 90.71%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.44% 99.15%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 81.07% 94.80%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.69% 90.71%

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 9992645
LOTUS LTS0158643
wikiData Q104196232