Kouitchenside G

Details

• Internal ID: 75295719-9d9e-45d9-8192-d3b2a333e32a
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
• IUPAC Name: 3,5-dimethoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
• SMILES (Canonical): COC1=CC=CC2=C1OC3=C(C2=O)C(=CC(=C3)OC)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O
• SMILES (Isomeric): COC1=CC=CC2=C1OC3=C(C2=O)C(=CC(=C3)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O
• InChI: InChI=1S/C27H32O15/c1-36-10-6-13-17(18(29)11-4-3-5-12(37-2)25(11)39-13)14(7-10)40-27-24(35)22(33)20(31)16(42-27)9-38-26-23(34)21(32)19(30)15(8-28)41-26/h3-7,15-16,19-24,26-28,30-35H,8-9H2,1-2H3/t15-,16-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
• InChI Key: MWYPCJMHTQFUAQ-YCPAWSGYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₃₂O₁₅
• Molecular Weight: 596.50 g/mol
• Exact Mass: 596.17412031 g/mol
• Topological Polar Surface Area (TPSA): 223.00 Ų
• XlogP: -1.40

Synonyms

• CHEMBL2409393
• HY-N11530
• CS-0649020
• E80650
• 1444411-75-9

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	98.87%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.77%	95.56%
CHEMBL220	P22303	Acetylcholinesterase	96.08%	94.45%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	95.47%	94.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.55%	85.14%
CHEMBL2581	P07339	Cathepsin D	94.39%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	94.07%	89.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.79%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.72%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	90.64%	94.73%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	90.51%	96.00%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	89.53%	92.62%
CHEMBL2535	P11166	Glucose transporter	87.56%	98.75%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.83%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.69%	99.23%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.62%	95.89%
CHEMBL1907	P15144	Aminopeptidase N	86.55%	93.31%
CHEMBL3714130	P46095	G-protein coupled receptor 6	84.35%	97.36%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	83.89%	95.50%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.25%	99.17%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	81.90%	94.03%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.07%	97.14%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	80.58%	86.92%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	80.43%	95.83%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.35%	94.45%

Plants that contains it

• Swertia kouitchensis

Cross-Links

• PubChem: 71745143
• LOTUS: LTS0250198
• wikiData: Q105173882