PCIDB

KNApSAcK Metabolite C00019856

Metabolite

KNApSAcK Entry

id C00019856
Name (+)-trans-4'-Acetyl-3'-tigloylkhellactone
CAS RN
Standard InChI InChI=1S/C21H22O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6+/t18-,19+/m1/s1
Standard InChI (Main Layer) InChI=1S/C21H22O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3

Cluster

Phytochemical cluster No. 25
KCF-S cluster No. 224

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL72191 CHEMBL1378488

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Apiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Peucedanum japonicum 49563 Apiaceae asterids Viridiplantae

Human Protein / Gene in interaction

6 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P06746 DNA polymerase beta Enzyme CHEMBL1378488 CHEMBL1614079 (1)
0 / 0
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1378488 CHEMBL1614458 (1)
0 / 0
P42858 Huntingtin Unclassified protein CHEMBL1378488 CHEMBL1613918 (1)
1 / 1
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL1378488 CHEMBL1794584 (1)
2 / 0
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL1378488 CHEMBL1614038 (1)
2 / 2
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1378488 CHEMBL1613914 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (5)

OMIM preferred title UniProt
#114500 Colorectal cancer; crc P84022
#119900 Digital clubbing, isolated congenital P15428
#143100 Huntington disease; hd P42858
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#613795 Loeys-dietz syndrome, type 3; lds3 P84022

KEGG DISEASE (3)

KEGG disease name UniProt
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H00059 Huntington's disease (HD) P42858 (related)