PCIDB

KNApSAcK Metabolite C00040781

Metabolite

KNApSAcK Entry

id C00040781
Name 1-Cinnamoyl-3-acetyl-11-hydroxymeliacarpin / (+)-1-Cinnamoyl-3-acetyl-11-hydroxymeliacarpin
CAS RN 227451-22-1
Standard InChI InChI=1S/C38H44O14/c1-19(39)49-22-16-23(50-25(40)12-11-20-9-7-6-8-10-20)35-18-48-37(44,30(42)45-5)29(35)33(3,28(41)26-27(35)32(22,2)17-47-26)38-24-15-21(34(38,4)52-38)36(43)13-14-46-31(36)51-24/h6-14,21-24,26-29,31,41,43-44H,15-18H2,1-5H3/b12-11+/t21-,22-,23+,24?,26-,27+,28-,29+,31+,32-,33-,34+,35+,36+,37+,38+/m1/s1
Standard InChI (Main Layer) InChI=1S/C38H44O14/c1-19(39)49-22-16-23(50-25(40)12-11-20-9-7-6-8-10-20)35-18-48-37(44,30(42)45-5)29(35)33(3,28(41)26-27(35)32(22,2)17-47-26)38-24-15-21(34(38,4)52-38)36(43)13-14-46-31(36)51-24/h6-14,21-24,26-29,31,41,43-44H,15-18H2,1-5H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 487

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
Meliaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Melia azedarach 155640 Meliaceae rosids Viridiplantae