PCIDB

KNApSAcK Metabolite C00029824

Metabolite

KNApSAcK Entry

id C00029824
Name Lup-20(29)-en-28-oic acid / Betulinic acid methyl ester
CAS RN 2259-06-5
Standard InChI InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1
Standard InChI (Main Layer) InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 23

Link

ChEMBL

By standard InChI CHEMBL295602
By standard InChI Main Layer CHEMBL295602 CHEMBL1999996

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Ebenaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Diospyros discolor 268838 Ebenaceae asterids Viridiplantae

Human Protein / Gene in interaction

2 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q8TDU6 G-protein coupled bile acid receptor 1 Steroid-like ligand receptor CHEMBL295602 CHEMBL1041788 (1) CHEMBL1041789 (1)
0 / 0
Q96RI1 Bile acid receptor NR1H4 CHEMBL295602 CHEMBL1041790 (1)
0 / 0