PCIDB

KNApSAcK Metabolite C00035942

Metabolite

KNApSAcK Entry

id C00035942
Name 3-oxo-Olean-12-en-28-oic acid / (+)-3-oxo-Olean-12-en-28-oic acid
CAS RN 17990-42-0
Standard InChI InChI=1S/C30H46O3/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/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H46O3/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/h8,20-22H,9-18H2,1-7H3,(H,32,33)

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL470029
By standard InChI Main Layer CHEMBL470029 CHEMBL574496

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Malvaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Hibiscus taiwanensis 47605 Malvaceae rosids Viridiplantae

Human Protein / Gene in interaction

3 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 CHEMBL470029 CHEMBL1036591 (1) CHEMBL963010 (1)
CHEMBL1635808 (1) CHEMBL1635809 (1)
0 / 0
P35228 Nitric oxide synthase, inducible Enzyme CHEMBL470029 CHEMBL827657 (1)
1 / 1
P17706 Tyrosine-protein phosphatase non-receptor type 2 Tyr CHEMBL470029 CHEMBL963011 (1)
0 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (1)

OMIM preferred title UniProt
#611162 Malaria, susceptibility to P35228

KEGG DISEASE (2)

KEGG disease name UniProt
H00408 Type I diabetes mellitus P17706 (related)
H00017 Esophageal cancer P35228 (related)