PCIDB

KNApSAcK Metabolite C00039411

Metabolite

KNApSAcK Entry

id C00039411
Name Indicasaponin A / (+)-Indicasaponin A
CAS RN 244778-68-5
Standard InChI InChI=1S/C52H84O21/c1-22-10-15-52(47(65)73-45-40(64)37(61)35(59)28(19-54)69-45)17-16-50(6)24(32(52)23(22)2)8-9-30-49(5)13-12-31(48(3,4)29(49)11-14-51(30,50)7)70-46-42(72-44-39(63)36(60)34(58)27(18-53)68-44)41(26(56)21-67-46)71-43-38(62)33(57)25(55)20-66-43/h8,22-23,25-46,53-64H,9-21H2,1-7H3/t22-,23+,25+,26+,27-,28-,29+,30-,31+,32+,33+,34-,35-,36+,37+,38-,39-,40-,41+,42-,43+,44+,45+,46+,49+,50-,51-,52+/m1/s1
Standard InChI (Main Layer) InChI=1S/C52H84O21/c1-22-10-15-52(47(65)73-45-40(64)37(61)35(59)28(19-54)69-45)17-16-50(6)24(32(52)23(22)2)8-9-30-49(5)13-12-31(48(3,4)29(49)11-14-51(30,50)7)70-46-42(72-44-39(63)36(60)34(58)27(18-53)68-44)41(26(56)21-67-46)71-43-38(62)33(57)25(55)20-66-43/h8,22-23,25-46,53-64H,9-21H2,1-7H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Zygophyllaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Fagonia indica 66629 Zygophyllaceae rosids Viridiplantae