Metabolite

KNApSAcK Entry

id C00013182
Name Celapanigine / Celapagine 4-acetate / 4,6-bis(Acetyloxy)-10-(benzoyloxy)octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid
CAS RN 52691-07-3
Standard InChI InChI=1S/C32H37NO9/c1-18-14-15-23(38-19(2)34)31(6)27(41-29(37)22-13-10-16-33-17-22)25(39-20(3)35)24-26(32(18,31)42-30(24,4)5)40-28(36)21-11-8-7-9-12-21/h7-13,16-18,23-27H,14-15H2,1-6H3
Standard InChI (Main Layer) InChI=1S/C32H37NO9/c1-18-14-15-23(38-19(2)34)31(6)27(41-29(37)22-13-10-16-33-17-22)25(39-20(3)35)24-26(32(18,31)42-30(24,4)5)40-28(36)21-11-8-7-9-12-21/h7-13,16-18,23-27H,14-15H2,1-6H3

Cluster

Phytochemical cluster
KCF-S cluster No. 168

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 2

Family

family name count
Celastraceae 1
Casuarinaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Casuarina sticta 3521 Casuarinaceae rosids Viridiplantae
Celastrus paniculatus 994668 Celastraceae rosids Viridiplantae