input word = C00002863

Metabolite InformationStructural formula
Name Sennoside A
Formula C42H38O20
Mw 862.19564366
CAS RN 81-27-6
C_ID C00002863 ,
InChIKey IPQVTOJGNYVQEO-SLRDRZARNA-N
InChICode InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31+,32+,35+,36+,37-,38-,41-,42-/m1/s1
SMILES O=C(O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cccc31)c1cccc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia acutifolia Ref.
PlantaeFabaceaeCassia angustifolia Ref.
PlantaeFabaceaeCassia senna Ref.
PlantaePolygonaceaeRheum officinale Ref.
PlantaePolygonaceaeRheum palmatum Ref.
PlantaePolygonaceaeRheum tanguticum Ref.
PlantaePolygonaceaeRumex acetosa Ref.
PlantaePolygonaceaeRumex acetosella Ref.
PlantaePolygonaceaeRumex confertus Ref.
PlantaePolygonaceaeRumex crispus Ref.
PlantaePolygonaceaeRumex hydrolapathum Ref.
PlantaePolygonaceaeRumex obtusifolius Ref.
--Cathartic principle Ref.
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OrganismRheum officinale
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

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

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Ou, et al., Brief Handbook of Components of Traditional Chinese Medicines, The People's Medical Publishing House, Beijing, (2003).

Karikome, Wen-ben Yang translated, Phytochemistry, Science Press, Beijing, (1985)