PCIDB

KNApSAcK Metabolite C00029494

Metabolite

KNApSAcK Entry

id C00029494
Name epi-Oleanolic acid / 3-Epioleanolic acid
CAS RN 25499-90-5
Standard InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,27-,28+,29+,30-/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 13

Link

ChEMBL

By standard InChI CHEMBL486382
By standard InChI Main Layer CHEMBL56615 CHEMBL168 CHEMBL180553 CHEMBL365375 CHEMBL486382 CHEMBL1413646 CHEMBL1436454

KEGG

By LinkDB

CTD

By CAS RN

Human Protein / Gene in interaction

30 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P18031 Tyrosine-protein phosphatase non-receptor type 1 Tyr CHEMBL168 CHEMBL486382 CHEMBL854300 (1) CHEMBL1036591 (1)
CHEMBL963010 (2) CHEMBL1106811 (1)
CHEMBL1635808 (1) CHEMBL1635809 (1)
CHEMBL1926476 (1) CHEMBL2066218 (1)
CHEMBL2149371 (1) CHEMBL2149372 (2)
CHEMBL2149377 (1) CHEMBL2328911 (1)
CHEMBL2351035 (1)
0 / 0
O60218 Aldo-keto reductase family 1 member B10 Enzyme CHEMBL168 CHEMBL2168779 (1) CHEMBL2168780 (1)
CHEMBL2168783 (1) CHEMBL2169008 (1)
CHEMBL2169016 (1)
0 / 0
P35354 Prostaglandin G/H synthase 2 Oxidoreductase CHEMBL168 CHEMBL1014032 (1) CHEMBL1003453 (1)
CHEMBL1008495 (1)
0 / 3
P06746 DNA polymerase beta Enzyme CHEMBL168 CHEMBL365375 CHEMBL921744 (1) CHEMBL921745 (1)
CHEMBL993810 (1) CHEMBL999199 (1)
CHEMBL1614079 (1) CHEMBL2169014 (1)
0 / 0
Q06124 Tyrosine-protein phosphatase non-receptor type 11 Tyr CHEMBL168 CHEMBL1646722 (1)
4 / 2
P24666 Low molecular weight phosphotyrosine protein phosphatase Tyr CHEMBL168 CHEMBL2149373 (1) CHEMBL2149374 (1)
0 / 0
Q8TDU6 G-protein coupled bile acid receptor 1 Steroid-like ligand receptor CHEMBL168 CHEMBL1041788 (1) CHEMBL1041789 (1)
0 / 0
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL1413646 CHEMBL1614331 (1)
0 / 0
P51452 Dual specificity protein phosphatase 3 Ser_Thr_Tyr CHEMBL168 CHEMBL1646723 (1)
0 / 0
P10586 Receptor-type tyrosine-protein phosphatase F Receptor tyrosine-protein phosphatase CHEMBL168 CHEMBL963013 (1) CHEMBL2149376 (1)
0 / 0
P23219 Prostaglandin G/H synthase 1 Oxidoreductase CHEMBL168 CHEMBL1003454 (1) CHEMBL1008496 (1)
0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL168 CHEMBL1738606 (1)
0 / 0
O75496 Geminin Unclassified protein CHEMBL168 CHEMBL2114780 (1)
0 / 0
P15121 Aldose reductase Enzyme CHEMBL168 CHEMBL2168781 (1)
0 / 0
P49841 Glycogen synthase kinase-3 beta Gsk CHEMBL168 CHEMBL1053705 (1)
0 / 0
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL168 CHEMBL1794401 (1)
0 / 0
P11511 Cytochrome P450 19A1 Cytochrome P450 19A1 CHEMBL168 CHEMBL978973 (1)
2 / 2
Q96RI1 Bile acid receptor NR1H4 CHEMBL168 CHEMBL1041790 (1)
0 / 0
P18433 Receptor-type tyrosine-protein phosphatase alpha Receptor tyrosine-protein phosphatase CHEMBL168 CHEMBL963014 (1)
0 / 0
P35236 Tyrosine-protein phosphatase non-receptor type 7 Tyr CHEMBL168 CHEMBL1646724 (1)
0 / 0
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL168 CHEMBL1738588 (1)
0 / 0
P35228 Nitric oxide synthase, inducible Enzyme CHEMBL168 CHEMBL827657 (1)
1 / 1
Q9UNA4 DNA polymerase iota Enzyme CHEMBL365375 CHEMBL1794483 (1)
0 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL365375 CHEMBL1614211 (1)
0 / 0
P17706 Tyrosine-protein phosphatase non-receptor type 2 Tyr CHEMBL168 CHEMBL486382 CHEMBL963011 (2)
0 / 1
P29350 Tyrosine-protein phosphatase non-receptor type 6 Tyr CHEMBL168 CHEMBL963012 (1) CHEMBL1646721 (1)
0 / 0
P04054 Phospholipase A2 Enzyme CHEMBL168 CHEMBL2169015 (1)
0 / 0
P23469 Receptor-type tyrosine-protein phosphatase epsilon Receptor tyrosine-protein phosphatase CHEMBL168 CHEMBL963015 (1)
0 / 0
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL1413646 CHEMBL1613933 (1)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL1413646 CHEMBL1613933 (1)
1 / 6

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (8)

OMIM preferred title UniProt
#613546 Aromatase deficiency P11511
#139300 Aromatase excess syndrome; aexs P11511
#607785 Juvenile myelomonocytic leukemia; jmml Q06124
#151100 Leopard syndrome 1 Q06124
#611162 Malaria, susceptibility to P35228
#156250 Metachondromatosis; metcds Q06124
#163950 Noonan syndrome 1; ns1 Q06124
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196

KEGG DISEASE (12)

KEGG disease name UniProt
H00599 46,XX disorders of sex development (Disorders related to androgen excess) P11511 (related)
H00794 Aromatase excess syndrome P11511 (related)
H00408 Type I diabetes mellitus P17706 (related)
H00017 Esophageal cancer P35228 (related)
P35354 (related)
H00025 Penile cancer P35354 (related)
H00046 Cholangiocarcinoma P35354 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q01196 (related)
Q01196 (marker)
H00003 Acute myeloid leukemia (AML) Q01196 (related)
Q01196 (marker)
Q13951 (marker)
H00004 Chronic myeloid leukemia (CML) Q01196 (related)
H00978 Thrombocytopenia (THC) Q01196 (related)
H00523 Noonan syndrome and related disorders Q06124 (related)
H01018 Metachondromatosis Q06124 (related)