PCIDB

KNApSAcK Metabolite C00002158

Metabolite

KNApSAcK Entry

id C00002158
Name Evoxine / 7-(2,3-Dihydroxy-3-methyl-butyl)oxy-8-methyldictamnine
CAS RN 522-11-2
Standard InChI InChI=1S/C18H21NO6/c1-18(2,21)13(20)9-25-12-6-5-10-14(16(12)23-4)19-17-11(7-8-24-17)15(10)22-3/h5-8,13,20-21H,9H2,1-4H3
Standard InChI (Main Layer) InChI=1S/C18H21NO6/c1-18(2,21)13(20)9-25-12-6-5-10-14(16(12)23-4)19-17-11(7-8-24-17)15(10)22-3/h5-8,13,20-21H,9H2,1-4H3

Cluster

Phytochemical cluster No. 7
KCF-S cluster No. 600

Link

ChEMBL

By standard InChI CHEMBL1416006
By standard InChI Main Layer CHEMBL1317300 CHEMBL1395597 CHEMBL1416006

KEGG

By LinkDB C10670

CTD

By CAS RN

Human Protein / Gene in interaction

14 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1317300 CHEMBL1741321 (1)
1 / 0
P10253 Lysosomal alpha-glucosidase Hydrolase CHEMBL1416006 CHEMBL1614103 (1) CHEMBL1614031 (1)
1 / 1
Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Enzyme CHEMBL1416006 CHEMBL1794585 (1)
0 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1317300 CHEMBL1614027 (2) CHEMBL1741325 (1)
0 / 1
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1317300 CHEMBL1416006 CHEMBL1614458 (4)
0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL1395597 CHEMBL1416006 CHEMBL1738606 (2)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1317300 CHEMBL1741322 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL1317300 CHEMBL1416006 CHEMBL1613910 (2) CHEMBL1614227 (3)
3 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL1317300 CHEMBL1416006 CHEMBL1614038 (4)
2 / 2
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL1395597 CHEMBL1738588 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1317300 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1317300 CHEMBL1416006 CHEMBL1614108 (2) CHEMBL1613886 (2)
CHEMBL1741324 (1)
0 / 1
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1317300 CHEMBL1416006 CHEMBL1613914 (4)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL1395597 CHEMBL2354311 (1)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (9)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#119900 Digital clubbing, isolated congenital P15428
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#137800 Glioma susceptibility 1; glm1 O75874
#232300 Glycogen storage disease ii P10253
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714

KEGG DISEASE (9)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H00069 Glycogen storage diseases (GSD) P10253 (related)
H01205 Coumarin resistance P11712 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00480 Non-syndromic X-linked mental retardation Q99714 (related)
H00658 Syndromic X-linked mental retardation Q99714 (related)
H00925 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency Q99714 (related)