PCIDB

KNApSAcK Metabolite C00026937

Metabolite

KNApSAcK Entry

id C00026937
Name Caledonine / (+)-Caledonine
CAS RN 235099-24-8
Standard InChI InChI=1S/C77H86N14/c1-85-38-31-71(45-17-8-10-29-57(45)78-64(71)85)47-19-12-20-48-59(47)80-65-72(48,32-39-86(65)2)49-21-13-22-50-60(49)81-66-73(50,33-40-87(66)3)51-23-14-24-52-61(51)82-67-74(52,34-41-88(67)4)53-25-15-26-54-62(53)83-68-75(54,35-42-89(68)5)55-27-16-28-56-63(55)84-70-77(56,37-44-91(70)7)76-36-43-90(6)69(76)79-58-30-11-9-18-46(58)76/h8-30,64-70,78-84H,31-44H2,1-7H3/t64-,65-,66-,67-,68-,69+,70-,71?,72-,73-,74-,75-,76-,77?/m1/s1
Standard InChI (Main Layer) InChI=1S/C77H86N14/c1-85-38-31-71(45-17-8-10-29-57(45)78-64(71)85)47-19-12-20-48-59(47)80-65-72(48,32-39-86(65)2)49-21-13-22-50-60(49)81-66-73(50,33-40-87(66)3)51-23-14-24-52-61(51)82-67-74(52,34-41-88(67)4)53-25-15-26-54-62(53)83-68-75(54,35-42-89(68)5)55-27-16-28-56-63(55)84-70-77(56,37-44-91(70)7)76-36-43-90(6)69(76)79-58-30-11-9-18-46(58)76/h8-30,64-70,78-84H,31-44H2,1-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 5301

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Psychotria oleoides 180038 Rubiaceae asterids Viridiplantae