Dulcisxanthone A

Details

• Internal ID: be9151f5-7cdc-4d72-8a59-167d4de005c0
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid C-glycosides
• IUPAC Name: [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[3-(4-acetyloxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]oxan-2-yl]methoxy]oxan-3-yl] acetate
• InChI: InChI=1S/C41H44O21/c1-16-34(56-18(3)43)37(58-20(5)45)40(61-23(8)48)41(54-16)53-15-29-35(57-19(4)44)38(59-21(6)46)39(60-22(7)47)36(62-29)30-27(49)13-28-31(33(30)51)32(50)26(14-52-28)24-9-11-25(12-10-24)55-17(2)42/h9-14,16,29,34-41,49,51H,15H2,1-8H3/t16-,29+,34-,35+,36-,37+,38-,39-,40+,41+/m0/s1
• InChI Key: SNMFBSRSMMXRII-LSWVGQPASA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₁H₄₄O₂₁
• Molecular Weight: 872.80 g/mol
• Exact Mass: 872.23750841 g/mol
• Topological Polar Surface Area (TPSA): 279.00 Ų
• XlogP: 2.10

Synonyms

There are no found synonyms.

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	99.66%	91.11%
CHEMBL2581	P07339	Cathepsin D	99.09%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	96.27%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	95.64%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	95.18%	94.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	93.57%	99.15%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.43%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.58%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.51%	99.17%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	86.72%	86.92%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	86.17%	94.42%
CHEMBL3475	P05121	Plasminogen activator inhibitor-1	85.46%	83.00%
CHEMBL226	P30542	Adenosine A1 receptor	84.99%	95.93%
CHEMBL4208	P20618	Proteasome component C5	84.78%	90.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.21%	99.23%
CHEMBL3401	O75469	Pregnane X receptor	83.72%	94.73%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	81.20%	92.62%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	80.65%	94.80%
CHEMBL1907	P15144	Aminopeptidase N	80.13%	93.31%

Plants that contains it

• Garcinia dulcis

Cross-Links

• PubChem: 157010313
• LOTUS: LTS0220493
• wikiData: Q105256556