8,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7-one

Details

Top
Internal ID 3a0e4543-dd66-4a3f-b5a1-84e2264f5f75
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones
IUPAC Name 8,11-dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H14O5/c1-18(2)8-7-9-3-4-10-14(21)13-11(19)5-6-12(20)17(13)22-16(10)15(9)23-18/h3-8,19-20H,1-2H3
InChI Key JOGSSASAVYQWRN-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C18H14O5
Molecular Weight 310.30 g/mol
Exact Mass 310.08412354 g/mol
Topological Polar Surface Area (TPSA) 76.00 Ų
XlogP 3.70

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 8,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7-one

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 99.04% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 97.81% 91.49%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.00% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.26% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.37% 95.56%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 87.72% 85.30%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.99% 99.23%
CHEMBL2581 P07339 Cathepsin D 85.31% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.57% 94.00%
CHEMBL1937 Q92769 Histone deacetylase 2 82.95% 94.75%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 80.61% 93.65%

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.
Garcinia xanthochymus

Cross-Links

Top
PubChem 163028320
LOTUS LTS0072960
wikiData Q105132327