PCIDB

KNApSAcK Metabolite C00031910

Metabolite

KNApSAcK Entry

id C00031910
Name Isopteryxin / (-)-Isopteryxin
CAS RN 14017-71-1
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 CHEMBL1378488
By standard InChI Main Layer CHEMBL72191 CHEMBL1378488

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 2

Family

family name count
Apiaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Angelica furcijuga KITAGAWA 40948 Apiaceae asterids Viridiplantae
Prionosciadium thapsoides 884312 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)