PCIDB

KNApSAcK Metabolite C00048490

Metabolite

KNApSAcK Entry

id C00048490
Name Neocaesalpin R / (+)-Neocaesalpin R
CAS RN 1132772-59-8
Standard InChI InChI=1S/C27H32O6/c1-15-17-13-20(28)32-19(17)14-18-21(15)22(29)23(33-24(30)16-9-6-5-7-10-16)27(31)25(2,3)11-8-12-26(18,27)4/h5-7,9-10,13-15,18,21-23,29,31H,8,11-12H2,1-4H3/t15-,18-,21-,22+,23+,26+,27+/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H32O6/c1-15-17-13-20(28)32-19(17)14-18-21(15)22(29)23(33-24(30)16-9-6-5-7-10-16)27(31)25(2,3)11-8-12-26(18,27)4/h5-7,9-10,13-15,18,21-23,29,31H,8,11-12H2,1-4H3

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