PCIDB

KNApSAcK Metabolite C00042569

Metabolite

KNApSAcK Entry

id C00042569
Name Grayanotoxin III
CAS RN 4678-45-9
Standard InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10-,11+,12+,13+,14-,15?,17-,18-,19+,20+/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3

Cluster

Phytochemical cluster No. 45
KCF-S cluster No. 320

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL352732 CHEMBL454313 CHEMBL1567880 CHEMBL1981629

KEGG

By LinkDB

CTD

By CAS RN C020751

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Ericaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Rhododendron molle G.Don 4346 Ericaceae 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)
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL1567880 CHEMBL1614211 (1)
0 / 0