input word = C00003677

Metabolite InformationStructural formula
Name Withaferin D
Withanolide D
Formula C28H38O6
Mw 470.26683895
CAS RN 30655-48-2
C_ID C00003677 ,
InChIKey SASUFNRGCZMRFD-WIIIJRCNNA-N
InChICode InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,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@]([C@H]1CC(=C(C(=O)O1)C)C)(O)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum torvum Ref.
PlantaeSolanaceaeTubocapsicum anomalum Ref.
PlantaeSolanaceaeWithania somnifera Ref.
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OrganismSolanum torvum
ReferenceJi, et al., Pharmacological Action and Application of Available Antitumor Composition of Traditional Chinese Medicine, Heilongjiang Science and technology Press, Heilongjiang, (1998).

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

ZHAO, et al., Chem Pharm Bull, 50, (2002), 760