PCIDB

KNApSAcK Metabolite C00001264

Metabolite

KNApSAcK Entry

id C00001264
Name Octanol / n-Octanol / 1-Octanol / Octan-1-ol
CAS RN 111-87-5
Standard InChI InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
Standard InChI (Main Layer) InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1749

Link

ChEMBL

By standard InChI CHEMBL26215
By standard InChI Main Layer CHEMBL26215

KEGG

By LinkDB C00756

CTD

By CAS RN D020003

Human Protein / Gene in interaction

5 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10828 Thyroid hormone receptor beta NR1A2 CHEMBL26215 CHEMBL1794561 (1)
3 / 1
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL26215 CHEMBL1614458 (1)
0 / 0
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL26215 CHEMBL1794401 (1)
0 / 0
P04150 Glucocorticoid receptor NR3C1 CHEMBL26215 CHEMBL1794456 (1)
0 / 1
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL26215 CHEMBL1614227 (1)
3 / 3

CTD interaction (6)

compound gene gene name gene description interaction interaction type form reference
pmid
D020003 128 ADH5
ADH-3
ADHX
FALDH
FDH
GSH-FDH
GSNOR
alcohol dehydrogenase 5 (class III), chi polypeptide (EC:1.1.1.1 1.1.1.284) ADH5 protein results in increased metabolism of 1-Octanol increases metabolic processing
protein 19822198
D020003 128 ADH5
ADH-3
ADHX
FALDH
FDH
GSH-FDH
GSNOR
alcohol dehydrogenase 5 (class III), chi polypeptide (EC:1.1.1.1 1.1.1.284) Pentachlorophenol inhibits the reaction [ADH5 protein results in increased metabolism of 1-Octanol] decreases reaction
/ increases metabolic processing
protein 19822198
D020003 1080 CFTR
ABC35
ABCC7
CF
CFTR/MRP
MRP7
TNR-CFTR
dJ760C5.1
cystic fibrosis transmembrane conductance regulator (ATP-binding cassette sub-family C, member 7) (EC:3.6.3.49) 1-Octanol results in increased activity of CFTR protein increases activity
protein 14967738
D020003 1080 CFTR
ABC35
ABCC7
CF
CFTR/MRP
MRP7
TNR-CFTR
dJ760C5.1
cystic fibrosis transmembrane conductance regulator (ATP-binding cassette sub-family C, member 7) (EC:3.6.3.49) 1-Octanol results in increased activity of CFTR protein mutant form increases activity
protein 14967738
D020003 1080 CFTR
ABC35
ABCC7
CF
CFTR/MRP
MRP7
TNR-CFTR
dJ760C5.1
cystic fibrosis transmembrane conductance regulator (ATP-binding cassette sub-family C, member 7) (EC:3.6.3.49) Glyburide inhibits the reaction [1-Octanol results in increased activity of CFTR protein] decreases reaction
/ increases activity
protein 14967738
D020003 1080 CFTR
ABC35
ABCC7
CF
CFTR/MRP
MRP7
TNR-CFTR
dJ760C5.1
cystic fibrosis transmembrane conductance regulator (ATP-binding cassette sub-family C, member 7) (EC:3.6.3.49) N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide inhibits the reaction [1-Octanol results in increased activity of CFTR protein] decreases reaction
/ increases activity
protein 14967738

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (6)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#188570 Thyroid hormone resistance, generalized, autosomal dominant; grth P10828
#274300 Thyroid hormone resistance, generalized, autosomal recessive; grth P10828
#145650 Thyroid hormone resistance, selective pituitary; prth P10828

KEGG DISEASE (5)

KEGG disease name UniProt
H00599 46,XX disorders of sex development (Disorders related to androgen excess) P04150 (related)
H00249 Thyroid hormone resistance syndrome P10828 (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)