PCIDB

KNApSAcK Metabolite C00043548

Metabolite

KNApSAcK Entry

id C00043548
Name Grayanotoxin II
CAS RN 4678-44-8
Standard InChI InChI=1S/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h11-16,21-25H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15+,16?,18+,19-,20-/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h11-16,21-25H,1,5-9H2,2-4H3

Cluster

Phytochemical cluster No. 45
KCF-S cluster No. 1513

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL453542 CHEMBL1484331

KEGG

By LinkDB

CTD

By CAS RN C020750

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 49168 Ericaceae asterids Viridiplantae

Human Protein / Gene in interaction

3 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1484331 CHEMBL1614458 (1)
0 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL1484331 CHEMBL1794584 (1)
2 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL1484331 CHEMBL1738184 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM preferred title UniProt
#114500 Colorectal cancer; crc P84022
#613795 Loeys-dietz syndrome, type 3; lds3 P84022