PCIDB

KNApSAcK Metabolite C00043199

Metabolite

KNApSAcK Entry

id C00043199
Name 3''-O-Methylcrenatoside / (-)-3''-O-Methylcrenatoside
CAS RN 719288-66-1
Standard InChI InChI=1S/C30H36O15/c1-13-23(36)24(37)25(38)29(41-13)45-27-26(44-22(35)8-4-14-3-6-17(33)19(9-14)39-2)20(11-31)43-30-28(27)42-21(12-40-30)15-5-7-16(32)18(34)10-15/h3-10,13,20-21,23-34,36-38H,11-12H2,1-2H3/b8-4+/t13-,20+,21+,23-,24+,25+,26+,27-,28+,29-,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H36O15/c1-13-23(36)24(37)25(38)29(41-13)45-27-26(44-22(35)8-4-14-3-6-17(33)19(9-14)39-2)20(11-31)43-30-28(27)42-21(12-40-30)15-5-7-16(32)18(34)10-15/h3-10,13,20-21,23-34,36-38H,11-12H2,1-2H3

Cluster

Phytochemical cluster
KCF-S cluster No. 33

Link

ChEMBL

By standard InChI CHEMBL502701
By standard InChI Main Layer CHEMBL502701

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Microtoena prainiana 694372 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)
P12821 Angiotensin-converting enzyme M2 CHEMBL502701 CHEMBL999963 (1) CHEMBL999964 (1)
CHEMBL999967 (1)
4 / 2

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (4)

OMIM preferred title UniProt
#614519 Hemorrhage, intracerebral, susceptibility to; ich P12821
#612624 Microvascular complications of diabetes, susceptibility to, 3; mvcd3 P12821
#267430 Renal tubular dysgenesis; rtd P12821
#601367 Stroke, ischemic P12821

KEGG DISEASE (2)

KEGG disease name UniProt
H00083 Allograft rejection P12821 (related)
H00575 Renal tubular dysgenesis P12821 (related)