N-ACETYLCHITOPENTAOSE

/static/temp/default.svg Search structure
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key BZBKTWJIYTYFBH-YSJWDAEMSA-N
Smiles CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(=O)C)[C@H](O)[C@H]4NC(=O)C)[C@H](O)[C@H]3NC(=O)C)[C@H](O)[C@H]2NC(=O)C)[C@@H]1O
InChI
InChI=1S/C40H67N5O26/c1-11(51)41-21-28(58)32(17(7-47)63-36(21)62)68-38-23(43-13(3)53)30(60)34(19(9-49)65-38)70-40-25(45-15(5)55)31(61)35(20(10-50)67-40)71-39-24(44-14(4)54)29(59)33(18(8-48)66-39)69-37-22(42-12(2)52)27(57)26(56)16(6-46)64-37/h16-40,46-50,56-62H,6-10H2,1-5H3,(H,41,51)(H,42,52)(H,43,53)(H,44,54)(H,45,55)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36?,37+,38+,39+,40+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H67N5O26
Molecular Weight 1033.98
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None
Assay Description Organism Bioactivity Reference
Induction of phytoalexin secretion in Avena sativa Pc-2 leaf lower epidermis assessed as amount of avenanthramide D at 1 mg/ml by HPLC analysis relative to control Avena sativa None
Induction of phytoalexin secretion in Avena sativa Pc-2 leaf lower epidermis assessed as amount of avenanthramide G at 1 mg/ml by HPLC analysis relative to control Avena sativa None
Induction of phytoalexin secretion in Avena sativa Pc-2 leaf lower epidermis assessed as amount of avenanthramide L at 1 mg/ml by HPLC analysis relative to control Avena sativa None
Induction of phytoalexin secretion in Avena sativa Pc-2 leaf lower epidermis assessed as amount of avenanthramide B at 1 mg/ml by HPLC analysis relative to control Avena sativa None
Induction of phytoalexin secretion in Avena sativa Pc-2 leaf lower epidermis assessed as amount of avenanthramide A at 1 mg/ml by HPLC analysis relative to control Avena sativa None
Induction of phytoalexin secretion in Avena sativa Shokan-1 leaf lower epidermis assessed as amount of avenanthramide D at 1 mg/ml by HPLC analysis relative to control Avena sativa 1.9
Induction of phytoalexin secretion in Avena sativa Shokan-1 leaf lower epidermis assessed as amount of avenanthramide G at 1 mg/ml by HPLC analysis relative to control Avena sativa 2.8
Induction of phytoalexin secretion in Avena sativa Shokan-1 leaf lower epidermis assessed as amount of avenanthramide L at 1 mg/ml by HPLC analysis relative to control Avena sativa 20.4
Induction of phytoalexin secretion in Avena sativa Shokan-1 leaf lower epidermis assessed as amount of avenanthramide B at 1 mg/ml by HPLC analysis relative to control Avena sativa 26.0
Induction of phytoalexin secretion in Avena sativa Shokan-1 leaf lower epidermis assessed as amount of avenanthramide A at 1 mg/ml by HPLC analysis relative to control Avena sativa 100.0
Induction of phytoalexin avenanthramide A secretion in Avena sativa Shokan-1 leaf lower epidermis at 1 mg/ml after 24 hr in presence of CaCl2 Avena sativa None
Induction of electrolyte leakage in Avena sativa Shokan-1 leaf lower epidermis at 1 mg/ml after 24 hr by conductivity test Avena sativa None
Induction of phytoalexin avenanthramide A secretion in Avena sativa Shokan-1 leaf lower epidermis at 5 mg/ml after 24 hr Avena sativa None
Induction of phytoalexin avenanthramide A secretion in Avena sativa Shokan-1 leaf lower epidermis at 1 mg/ml upto 24 hr Avena sativa None
Induction of phytoalexin avenanthramide A secretion in Avena sativa Shokan-1 leaf lower epidermis at 1 mg/ml after 24 hr Avena sativa None

Cross References

Resources Reference
ChEMBL CHEMBL2289058
PubChem 13846931
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