input word = C00003676

Metabolite InformationStructural formula
Name Withaferin A
Formula C28H38O6
Mw 470.26683895
CAS RN 5119-48-2
C_ID C00003676 ,
InChIKey DBRXOUCRJQVYJQ-BNDJEQFSNA-N
InChICode InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
SMILES C1=C[C@@H]([C@]23[C@](C1=O)([C@@H]1[C@@H](C[C@H]2O3)[C@H]2[C@](CC1)([C@H](CC2)[C@@H]([C@H]1CC(=C(C(=O)O1)CO)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeAcnistus arborescens Ref.
PlantaeSolanaceaeSolanum torvum Ref.
PlantaeSolanaceaeWithania ashwagandha Ref.
PlantaeSolanaceaeWithania coagulans Ref.
PlantaeSolanaceaeWithania somnifera Ref.
zoom in



OrganismAcnistus arborescens
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter56