PCIDB

KNApSAcK Metabolite C00040753

Metabolite

KNApSAcK Entry

id C00040753
Name 1,3-Dicinnamoyl-11-hydroxymeliacarpin / (+)-1,3-Dicinnamoyl-11-hydroxymeliacarpin
CAS RN 227451-20-9
Standard InChI InChI=1S/C45H48O14/c1-39-23-54-33-34(39)42(29(57-32(47)18-16-26-13-9-6-10-14-26)22-28(39)56-31(46)17-15-25-11-7-5-8-12-25)24-55-44(51,37(49)52-4)36(42)40(2,35(33)48)45-30-21-27(41(45,3)59-45)43(50)19-20-53-38(43)58-30/h5-20,27-30,33-36,38,48,50-51H,21-24H2,1-4H3/b17-15+,18-16+/t27-,28-,29+,30+,33-,34+,35-,36?,38+,39-,40-,41+,42+,43+,44+,45+/m1/s1
Standard InChI (Main Layer) InChI=1S/C45H48O14/c1-39-23-54-33-34(39)42(29(57-32(47)18-16-26-13-9-6-10-14-26)22-28(39)56-31(46)17-15-25-11-7-5-8-12-25)24-55-44(51,37(49)52-4)36(42)40(2,35(33)48)45-30-21-27(41(45,3)59-45)43(50)19-20-53-38(43)58-30/h5-20,27-30,33-36,38,48,50-51H,21-24H2,1-4H3

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