PCIDB

KNApSAcK Metabolite C00005824

Metabolite

KNApSAcK Entry

id C00005824
Name Icariin
CAS RN 489-32-7
Standard InChI InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14?,20?,22-,23+,25?,26-,27-,28?,32-,33+/m0/s1
Standard InChI (Main Layer) InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 1

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL553204 CHEMBL1515685 CHEMBL2308655

KEGG

By LinkDB C17555

CTD

By CAS RN C056599

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 CHEMBL553204 CHEMBL1614079 (1)
0 / 0
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL1515685 CHEMBL1614331 (1)
0 / 0
O76074 cGMP-specific 3',5'-cyclic phosphodiesterase PDE_5A CHEMBL2308655 CHEMBL998833 (1)
0 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL553204 CHEMBL1614211 (1)
0 / 0
P51160 Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' PDE_6C CHEMBL2308655 CHEMBL998836 (1)
1 / 1
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1515685 CHEMBL1613914 (1)
0 / 0

CTD interaction (11)

compound gene gene name gene description interaction interaction type form reference
pmid
C056599 650 BMP2
BDA2
BMP2A
bone morphogenetic protein 2 icariin results in increased expression of BMP2 mRNA increases expression
mRNA 15724410
17355822
C056599 4846 NOS3
ECNOS
eNOS
nitric oxide synthase 3 (endothelial cell) (EC:1.14.13.39) icariin promotes the reaction [NOS3 protein results in increased chemical synthesis of Nitric Oxide] increases chemical synthesis
/ increases reaction
protein 17499557
C056599 4846 NOS3
ECNOS
eNOS
nitric oxide synthase 3 (endothelial cell) (EC:1.14.13.39) icariin results in increased expression of and results in increased activity of NOS3 protein increases activity
/ increases expression
protein 17499557
C056599 4846 NOS3
ECNOS
eNOS
nitric oxide synthase 3 (endothelial cell) (EC:1.14.13.39) icariin results in increased expression of NOS3 mRNA increases expression
mRNA 17499557
C056599 8654 PDE5A
CGB-PDE
CN5A
PDE5
phosphodiesterase 5A, cGMP-specific (EC:3.1.4.35) icariin analog results in decreased activity of PDE5A protein decreases activity
protein 18778098
C056599 8654 PDE5A
CGB-PDE
CN5A
PDE5
phosphodiesterase 5A, cGMP-specific (EC:3.1.4.35) icariin results in decreased activity of PDE5A protein decreases activity
protein 18778098
C056599 5241 PGR
NR3C3
PR
progesterone receptor fulvestrant inhibits the reaction [icariin results in increased expression of PGR mRNA] decreases reaction
/ increases expression
mRNA 15541416
C056599 5241 PGR
NR3C3
PR
progesterone receptor icariin results in increased expression of PGR mRNA increases expression
mRNA 15541416
C056599 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A icariin results in increased activity of RELA protein increases activity
protein 17499557
C056599 7031 TFF1
BCEI
D21S21
HP1.A
HPS2
pNR-2
pS2
trefoil factor 1 fulvestrant inhibits the reaction [icariin results in increased expression of TFF1 mRNA] decreases reaction
/ increases expression
mRNA 15541416
C056599 7031 TFF1
BCEI
D21S21
HP1.A
HPS2
pNR-2
pS2
trefoil factor 1 icariin results in increased expression of TFF1 mRNA increases expression
mRNA 15541416

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (1)

OMIM preferred title UniProt
#613093 Cone dystrophy 4; cod4 P51160

KEGG DISEASE (1)

KEGG disease name UniProt
H00481 Cone-rod dystrophy and cone dystrophy P51160 (related)

Diseases related to CTD interactions

9 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D000544 C056599 Alzheimer Disease therapeutic
19782061
19858766
D001284 C056599 Atrophy therapeutic
22613215
D001847 C056599 Bone Diseases therapeutic
18295595
D002545 C056599 Brain Ischemia therapeutic
19303870
D004487 C056599 Edema therapeutic
20686223
D007172 C056599 Erectile Dysfunction therapeutic
15329286
16281085
D007859 C056599 Learning Disorders therapeutic
19782061
D008569 C056599 Memory Disorders therapeutic
19782061
D010024 C056599 Osteoporosis therapeutic
18236786
19747809