5-Hydroxytryptamine; Nb-(17ξ-Hydroxy-6Z,9Z-octadecadienoyl), O-[β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranoside]
AlkaPlorer ID: AK009090
Synonym: '', 'Withanamide I'
IUPAC Name: (6Z,9Z,17S)-17-hydroxy-N-[2-[5-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]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]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@@H]3O)C=C12
InChI: InChI=1S/C46H72N2O18/c1-26(50)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-34(51)47-20-19-27-22-48-30-18-17-28(21-29(27)30)63-46-43(60)40(57)37(54)33(66-46)25-62-45-42(59)39(56)36(53)32(65-45)24-61-44-41(58)38(55)35(52)31(23-49)64-44/h2-3,6,8,17-18,21-22,26,31-33,35-46,48-50,52-60H,4-5,7,9-16,19-20,23-25H2,1H3,(H,47,51)/b3-2-,8-6-/t26-,31-,32-,33-,35+,36+,37+,38+,39-,40-,41-,42-,43-,44+,45+,46+/m0/s1
InChIKey: GAHUNWOQRNFUAG-AIQAHIEKSA-N
Reference
Potent lipid peroxidation inhibitors from Withania somnifera fruits
PubChem CID: 162877706
LOTUS: LTS0042781
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Withania somnifera | Withania | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 941.0780000000008
TPSA？: 326.29
MolLogP？: 0.2783000000000041
Number of H-Donors: 13
Number of H-Acceptors: 18
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|