Garcinexanthone A

Details

• Internal ID: 66a4ad24-18a6-4e52-942b-4958baadfc90
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones
• IUPAC Name: 7,10-dihydroxy-12-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one
• SMILES (Canonical): CC1(CCC2=CC3=C(C(=C2O1)OC)OC4=C(C=CC(=C4C3=O)O)O)C
• SMILES (Isomeric): CC1(CCC2=CC3=C(C(=C2O1)OC)OC4=C(C=CC(=C4C3=O)O)O)C
• InChI: InChI=1S/C19H18O6/c1-19(2)7-6-9-8-10-14(22)13-11(20)4-5-12(21)17(13)24-16(10)18(23-3)15(9)25-19/h4-5,8,20-21H,6-7H2,1-3H3
• InChI Key: AWSPLWUUTQJIOF-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₁₈O₆
• Molecular Weight: 342.30 g/mol
• Exact Mass: 342.11033829 g/mol
• Topological Polar Surface Area (TPSA): 85.20 Ų
• XlogP: 3.80

Synonyms

• 1107620-67-6
• 7,10-dihydroxy-12-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one
• 3,4-Dihydro-7,10-dihydroxy-12-methoxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one
• AKOS032961690
• FS-10139
• F92969

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

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	99.60%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.81%	94.45%
CHEMBL3192	Q9BY41	Histone deacetylase 8	97.56%	93.99%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.06%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	91.82%	94.00%
CHEMBL4040	P28482	MAP kinase ERK2	91.52%	83.82%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.46%	89.00%
CHEMBL2581	P07339	Cathepsin D	89.39%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.39%	86.33%
CHEMBL1951	P21397	Monoamine oxidase A	87.13%	91.49%
CHEMBL1937	Q92769	Histone deacetylase 2	87.08%	94.75%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.37%	96.09%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.02%	99.15%
CHEMBL2535	P11166	Glucose transporter	84.65%	98.75%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	84.61%	85.30%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.65%	99.23%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.56%	95.89%

Plants that contains it

• Garcinia xanthochymus

Cross-Links

• PubChem: 91885101
• LOTUS: LTS0122940
• wikiData: Q104920249