palmatosideA

Details

• Internal ID: e23937e6-3293-404b-a8d9-d6aae4bf271e
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides
• IUPAC Name: (1S,2S,3S,5R,8S,11R,12S,13S,15S)-5-(furan-3-yl)-3,11-dimethyl-12-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,14,16-trioxapentacyclo[10.3.2.02,11.03,8.013,15]heptadecane-7,17-dione
• SMILES (Canonical): CC12CCC3C(=O)OC(CC3(C1C4C5C(C2(C(=O)O4)OC6C(C(C(C(O6)CO)O)O)O)O5)C)C7=COC=C7
• SMILES (Isomeric): C[C@@]12CC[C@@H]3C(=O)O[C@H](C[C@]3([C@@H]1[C@H]4[C@H]5[C@@H]([C@@]2(C(=O)O4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O5)C)C7=COC=C7
• InChI: InChI=1S/C26H32O12/c1-24-7-12(10-4-6-33-9-10)34-21(31)11(24)3-5-25(2)19(24)17-18-20(36-18)26(25,23(32)37-17)38-22-16(30)15(29)14(28)13(8-27)35-22/h4,6,9,11-20,22,27-30H,3,5,7-8H2,1-2H3/t11-,12-,13-,14-,15+,16-,17-,18+,19+,20+,22+,24-,25-,26+/m1/s1
• InChI Key: IXWXQMCMUKDVFM-KOIDVAFYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₃₂O₁₂
• Molecular Weight: 536.50 g/mol
• Exact Mass: 536.18937645 g/mol
• Topological Polar Surface Area (TPSA): 178.00 Ų
• XlogP: -0.30

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.37%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	96.29%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.89%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	93.49%	97.25%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	92.92%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.24%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.24%	94.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	89.14%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.14%	95.89%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.40%	94.45%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	87.03%	95.83%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.87%	86.33%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	85.39%	86.92%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.40%	89.00%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	82.73%	92.62%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.69%	96.00%
CHEMBL1937	Q92769	Histone deacetylase 2	80.86%	94.75%

Plants that contains it

• Jateorhiza palmata
• Tinospora cordifolia

Cross-Links

• PubChem: 118855989
• LOTUS: LTS0227750
• wikiData: Q105122561