PCIDB

KNApSAcK Metabolite C00047632

Metabolite

KNApSAcK Entry

id C00047632
Name 1,3,7-Trideacetylkhivorin
CAS RN 105793-97-3
Standard InChI InChI=1S/C26H36O7/c1-22(2)15-10-18(29)25(5)14(24(15,4)17(28)11-16(22)27)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)33-20/h7,9,12,14-20,27-29H,6,8,10-11H2,1-5H3/t14-,15+,16-,17+,18-,19+,20-,23+,24-,25+,26-/m1/s1
Standard InChI (Main Layer) InChI=1S/C26H36O7/c1-22(2)15-10-18(29)25(5)14(24(15,4)17(28)11-16(22)27)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)33-20/h7,9,12,14-20,27-29H,6,8,10-11H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 536

Link

ChEMBL

By standard InChI CHEMBL1079815
By standard InChI Main Layer CHEMBL1079815 CHEMBL1445173

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Meliaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Swietenia mahagoni 459165 Meliaceae 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)
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL1445173 CHEMBL1614331 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1445173 CHEMBL1794467 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1445173 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

KEGG DISEASE (1)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)