PCIDB

KNApSAcK Metabolite C00028014

Metabolite

KNApSAcK Entry

id C00028014
Name Celahinine A
CAS RN 172889-43-9
Standard InChI InChI=1S/C53H53NO18/c1-28-29(2)45(58)69-42-40(67-32(5)57)44(71-48(61)35-22-15-10-16-23-35)52(27-64-30(3)55)43(70-47(60)34-20-13-9-14-21-34)39(66-31(4)56)37-41(68-46(59)33-18-11-8-12-19-33)53(52,51(42,7)63)72-50(37,6)26-65-49(62)36-24-17-25-54-38(28)36/h8-25,28-29,37,39-44,63H,26-27H2,1-7H3
Standard InChI (Main Layer) InChI=1S/C53H53NO18/c1-28-29(2)45(58)69-42-40(67-32(5)57)44(71-48(61)35-22-15-10-16-23-35)52(27-64-30(3)55)43(70-47(60)34-20-13-9-14-21-34)39(66-31(4)56)37-41(68-46(59)33-18-11-8-12-19-33)53(52,51(42,7)63)72-50(37,6)26-65-49(62)36-24-17-25-54-38(28)36/h8-25,28-29,37,39-44,63H,26-27H2,1-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 43

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
Celastraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Celastrus hindsii 489979 Celastraceae rosids Viridiplantae