PCIDB

KNApSAcK Metabolite C00002488

Metabolite

KNApSAcK Entry

id C00002488
Name Osthol / Osthole
CAS RN 484-12-8
Standard InChI InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
Standard InChI (Main Layer) InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3

Cluster

Phytochemical cluster No. 25
KCF-S cluster No. 466

Link

ChEMBL

By standard InChI CHEMBL52229
By standard InChI Main Layer CHEMBL52229

KEGG

By LinkDB C09280

CTD

By CAS RN C046627

Human Protein / Gene in interaction

12 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P09917 Arachidonate 5-lipoxygenase Oxidoreductase CHEMBL52229 CHEMBL1023322 (1)
0 / 0
P04062 Glucosylceramidase Enzyme CHEMBL52229 CHEMBL1613818 (2)
6 / 4
P04406 Glyceraldehyde-3-phosphate dehydrogenase Enzyme CHEMBL52229 CHEMBL684062 (1)
0 / 0
P23219 Prostaglandin G/H synthase 1 Oxidoreductase CHEMBL52229 CHEMBL1023323 (1)
0 / 0
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL52229 CHEMBL1614458 (2)
0 / 0
O75496 Geminin Unclassified protein CHEMBL52229 CHEMBL2114780 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL52229 CHEMBL2114788 (1)
0 / 0
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL52229 CHEMBL1794401 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL52229 CHEMBL1794467 (1)
0 / 0
P56817 Beta-secretase 1 A1A CHEMBL52229 CHEMBL1936881 (1) CHEMBL1936882 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL52229 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
O14980 Exportin-1 Unclassified protein CHEMBL52229 CHEMBL1120676 (1) CHEMBL1120677 (1)
0 / 0

CTD interaction (13)

compound gene gene name gene description interaction interaction type form reference
pmid
C046627 2180 ACSL1
ACS1
FACL1
FACL2
LACS
LACS1
LACS2
acyl-CoA synthetase long-chain family member 1 (EC:6.2.1.3) osthol results in increased expression of ACSL1 mRNA increases expression
mRNA 19682441
C046627 1374 CPT1A
CPT1
CPT1-L
L-CPT1
carnitine palmitoyltransferase 1A (liver) (EC:2.3.1.21) osthol results in increased expression of CPT1A mRNA increases expression
mRNA 19682441
C046627 4313 MMP2
CLG4
CLG4A
MMP-II
MONA
TBE-1
matrix metallopeptidase 2 (gelatinase A, 72kDa gelatinase, 72kDa type IV collagenase) (EC:3.4.24.24) osthol results in decreased activity of MMP2 protein decreases activity
protein 22503731
C046627 4318 MMP9
CLG4B
GELB
MANDP2
MMP-9
matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) (EC:3.4.24.35) osthol inhibits the reaction [RELA protein binds to MMP9 promoter] affects binding
/ decreases reaction
promoter 22503731
C046627 4318 MMP9
CLG4B
GELB
MANDP2
MMP-9
matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) (EC:3.4.24.35) osthol results in decreased activity of and results in decreased expression of MMP9 protein decreases activity
/ decreases expression
protein 22503731
C046627 4318 MMP9
CLG4B
GELB
MANDP2
MMP-9
matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) (EC:3.4.24.35) osthol results in decreased expression of MMP9 mRNA decreases expression
mRNA 22503731
C046627 4792 NFKBIA
IKBA
MAD-3
NFKBI
nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha benzyloxycarbonylleucyl-leucyl-leucine aldehyde inhibits the reaction [osthol results in decreased phosphorylation of and results in decreased degradation of NFKBIA protein] decreases degradation
/ decreases phosphorylation
/ decreases reaction
protein 22503731
C046627 4792 NFKBIA
IKBA
MAD-3
NFKBI
nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha osthol results in decreased degradation of NFKBIA protein decreases degradation
protein 22503731
C046627 4792 NFKBIA
IKBA
MAD-3
NFKBI
nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha osthol results in decreased phosphorylation of NFKBIA protein decreases phosphorylation
protein 22503731
C046627 5465 PPARA
NR1C1
PPAR
PPARalpha
hPPAR
peroxisome proliferator-activated receptor alpha osthol results in increased expression of PPARA mRNA increases expression
mRNA 19682441
C046627 5465 PPARA
NR1C1
PPAR
PPARalpha
hPPAR
peroxisome proliferator-activated receptor alpha osthol results in increased expression of PPARA protein increases expression
protein 19682441
C046627 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A osthol affects the localization of RELA protein affects localization
protein 22503731
C046627 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A osthol inhibits the reaction [RELA protein binds to MMP9 promoter] affects binding
/ decreases reaction
protein 22503731

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (6)

OMIM preferred title UniProt
#608013 Gaucher disease, perinatal lethal P04062
#230800 Gaucher disease, type i P04062
#230900 Gaucher disease, type ii P04062
#231000 Gaucher disease, type iii P04062
#231005 Gaucher disease, type iiic P04062
#168600 Parkinson disease, late-onset; pd P04062

KEGG DISEASE (5)

KEGG disease name UniProt
H00066 Lewy body dementia (LBD) P04062 (related)
H00126 Gaucher disease P04062 (related)
H00426 Defects in the degradation of ganglioside P04062 (related)
H00810 Progressive myoclonic epilepsy (PME) P04062 (related)
H00036 Osteosarcoma P08684 (marker)

Diseases related to CTD interactions

4 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
C538231 C046627 Adenocarcinoma of lung therapeutic
22503731
D003920 C046627 Diabetes Mellitus therapeutic
19682441
D006943 C046627 Hyperglycemia therapeutic
19682441
D009361 C046627 Neoplasm Invasiveness therapeutic
22503731