PCIDB

KNApSAcK Metabolite C00043759

Metabolite

KNApSAcK Entry

id C00043759
Name Negundoside
CAS RN 82451-20-5
Standard InChI InChI=1S/C23H28O12/c1-23(31)7-6-12-13(19(28)29)9-32-21(15(12)23)35-22-18(17(27)16(26)14(8-24)33-22)34-20(30)10-2-4-11(25)5-3-10/h2-5,9,12,14-18,21-22,24-27,31H,6-8H2,1H3,(H,28,29)/t12-,14-,15-,16-,17+,18-,21+,22+,23+/m1/s1
Standard InChI (Main Layer) InChI=1S/C23H28O12/c1-23(31)7-6-12-13(19(28)29)9-32-21(15(12)23)35-22-18(17(27)16(26)14(8-24)33-22)34-20(30)10-2-4-11(25)5-3-10/h2-5,9,12,14-18,21-22,24-27,31H,6-8H2,1H3,(H,28,29)

Cluster

Phytochemical cluster
KCF-S cluster No. 213

Link

ChEMBL

By standard InChI CHEMBL519878
By standard InChI Main Layer CHEMBL239350 CHEMBL519878

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 2

Family

family name count
Lamiaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Vitex altissima 549680 Lamiaceae asterids Viridiplantae
Vitex negundo 361442 Lamiaceae asterids Viridiplantae

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P09917 Arachidonate 5-lipoxygenase Oxidoreductase CHEMBL519878 CHEMBL1002859 (1)
0 / 0