PCIDB

KNApSAcK Metabolite C00049350

Metabolite

KNApSAcK Entry

id C00049350
Name 4-Epifriedelin
CAS RN 19865-96-4
Standard InChI InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22-,23+,24-,26-,27-,28+,29-,30+/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3

Cluster

Phytochemical cluster No. 52
KCF-S cluster No. 101

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL485998 CHEMBL1551590

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Myrtaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Syzygium formosanum 178174 Myrtaceae rosids 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 CHEMBL485998 CHEMBL1041788 (1) CHEMBL1041789 (1)
0 / 0
Q96RI1 Bile acid receptor NR1H4 CHEMBL485998 CHEMBL1041790 (1)
0 / 0