PCIDB

KNApSAcK Metabolite C00044450

Metabolite

KNApSAcK Entry

id C00044450
Name 3-epi-Skimmiarepin A
CAS RN 519140-33-1
Standard InChI InChI=1S/C35H56O6/c1-19(2)15-27(37)40-26-11-12-32(7)23-10-13-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)14-9-21(34)20-16-22(39-29(20)38)28-31(5,6)41-28/h19-26,28-29,36,38H,9-18H2,1-8H3/t20-,21-,22+,23+,24-,25+,26-,28-,29?,32+,33-,34+,35+/m0/s1
Standard InChI (Main Layer) InChI=1S/C35H56O6/c1-19(2)15-27(37)40-26-11-12-32(7)23-10-13-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)14-9-21(34)20-16-22(39-29(20)38)28-31(5,6)41-28/h19-26,28-29,36,38H,9-18H2,1-8H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 3048

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1910871

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Rutaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Luvunga sarmentosa 76969 Rutaceae rosids Viridiplantae

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P42345 Serine/threonine-protein kinase mTOR Enzyme CHEMBL1910871 CHEMBL1913841 (1) CHEMBL1913843 (1)
CHEMBL1913897 (1) CHEMBL1913899 (1)
CHEMBL1913901 (1) CHEMBL1913903 (1)
CHEMBL1913905 (1) CHEMBL1913907 (1)
CHEMBL1913909 (1) CHEMBL1913911 (1)
0 / 0