Cachimoside

Details

• Internal ID: 99665d78-d92b-43d6-89f1-5beb9f6734dc
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides > Flavonoid 8-C-glycosides
• IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one
• SMILES (Canonical): C1C(C(C(C(O1)OCC2C(C(C(C(O2)C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O)O
• SMILES (Isomeric): C1[C@H]([C@@H](C([C@@H](O1)OC[C@H]2[C@H](C(C([C@@H](O2)C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O)O
• InChI: InChI=1S/C26H28O14/c27-10-3-1-9(2-4-10)15-6-13(30)17-11(28)5-12(29)18(24(17)39-15)25-22(35)21(34)20(33)16(40-25)8-38-26-23(36)19(32)14(31)7-37-26/h1-6,14,16,19-23,25-29,31-36H,7-8H2/t14-,16+,19+,20-,21?,22?,23?,25+,26+/m1/s1
• InChI Key: DLIIIVWLAGTXTQ-YMILNDFRSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₂₈O₁₄
• Molecular Weight: 564.50 g/mol
• Exact Mass: 564.14790556 g/mol
• Topological Polar Surface Area (TPSA): 236.00 Ų
• XlogP: -1.90

Synonyms

• Kachimoside
• Vitexin 6''-O-xyloside
• LMPK12110205

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	99.55%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.58%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	95.28%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	94.34%	89.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.99%	97.09%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	91.42%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.67%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.38%	95.56%
CHEMBL308	P06493	Cyclin-dependent kinase 1	88.05%	91.73%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	87.13%	80.33%
CHEMBL3401	O75469	Pregnane X receptor	87.11%	94.73%
CHEMBL5284	Q96RR4	CaM-kinase kinase beta	85.55%	89.23%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	84.87%	91.71%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.19%	94.45%
CHEMBL1951	P21397	Monoamine oxidase A	82.68%	91.49%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	82.67%	86.92%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.62%	90.71%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	81.10%	95.83%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.32%	99.17%

Plants that contains it

• Gypsophila paniculata

Cross-Links

• PubChem: 44257661
• LOTUS: LTS0276249
• wikiData: Q104984334