5-Hydroxytryptamine; Nb-(17R-Hydroxy-6Z,9Z-octadecadienoyl), O-[β-D-glucopyranosyl-(1->6)-β-D-glucopyranoside]
AlkaPlorer ID: AK009061
Synonym: '', 'Withanamide A'
IUPAC Name: (6Z,9Z,17S)-17-hydroxy-N-[2-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1H-indol-3-yl]ethyl]octadeca-6,9-dienamide
Structure
SMILES: C[C@H](O)CCCCCC/C=C\C/C=C\CCCCC(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/C40H62N2O13/c1-25(44)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-32(45)41-20-19-26-22-42-29-18-17-27(21-28(26)29)53-40-38(51)36(49)34(47)31(55-40)24-52-39-37(50)35(48)33(46)30(23-43)54-39/h2-3,6,8,17-18,21-22,25,30-31,33-40,42-44,46-51H,4-5,7,9-16,19-20,23-24H2,1H3,(H,41,45)/b3-2-,8-6-/t25-,30+,31+,33+,34+,35+,36-,37-,38-,39+,40+/m0/s1
InChIKey: ZWPVRCFACRKFAE-HSYKLUPVSA-N
Reference
Potent lipid peroxidation inhibitors from Withania somnifera fruits
PubChem CID: 162941944
LOTUS: LTS0104986
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Withania somnifera | Withania | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 778.9370000000007
TPSA？: 247.14
MolLogP？: 2.4540999999999986
Number of H-Donors: 10
Number of H-Acceptors: 13
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|