5-Hydroxytryptamine; Nb-(15ξ-Hydroxyhexadecanoyl), O-[β-D-glucopyranosyl-(1->6)-β-D-glucopyranoside]
AlkaPlorer ID: AK009011
Synonym: 'Withanamide B', ''
IUPAC Name: (15R)-15-hydroxy-N-[2-[5-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1H-indol-3-yl]ethyl]hexadecanamide
Structure
SMILES: C[C@@H](O)CCCCCCCCCCCCCC(O)=NCCC1=CNC2=CC=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@@H](O)[C@@H]3O)C=C12
InChI: InChI=1S/C38H62N2O13/c1-23(42)13-11-9-7-5-3-2-4-6-8-10-12-14-30(43)39-18-17-24-20-40-27-16-15-25(19-26(24)27)51-38-36(49)34(47)32(45)29(53-38)22-50-37-35(48)33(46)31(44)28(21-41)52-37/h15-16,19-20,23,28-29,31-38,40-42,44-49H,2-14,17-18,21-22H2,1H3,(H,39,43)/t23-,28-,29-,31-,32-,33+,34-,35+,36+,37-,38-/m1/s1
InChIKey: QVAMYBXJCFOQLK-WAEYJGRYSA-N
Reference
Potent lipid peroxidation inhibitors from Withania somnifera fruits
PubChem CID: 163066007
LOTUS: LTS0165327
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Withania somnifera | Withania | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 754.9150000000006
TPSA？: 247.14
MolLogP？: 2.1219
Number of H-Donors: 10
Number of H-Acceptors: 13
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|