PCIDB

KNApSAcK Metabolite C00048489

Metabolite

KNApSAcK Entry

id C00048489
Name Neocaesalpin Q / (+)-Neocaesalpin Q
CAS RN 1132772-58-7
Standard InChI InChI=1S/C27H32O5/c1-16-18-13-22(32-24(29)17-9-6-5-7-10-17)27(30)25(2,3)11-8-12-26(27,4)20(18)15-21-19(16)14-23(28)31-21/h5-7,9-10,14-16,18,20,22,30H,8,11-13H2,1-4H3/t16-,18+,20+,22-,26-,27-/m1/s1
Standard InChI (Main Layer) InChI=1S/C27H32O5/c1-16-18-13-22(32-24(29)17-9-6-5-7-10-17)27(30)25(2,3)11-8-12-26(27,4)20(18)15-21-19(16)14-23(28)31-21/h5-7,9-10,14-16,18,20,22,30H,8,11-13H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 3832

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
Fabaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Caesalpinia pulcherrima 53846 Fabaceae rosids Viridiplantae