PCIDB

KNApSAcK Metabolite C00047681

Metabolite

KNApSAcK Entry

id C00047681
Name 6',7'-Dihydroxybergamottin
CAS RN 145414-76-2
Standard InChI InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8+
Standard InChI (Main Layer) InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 812

Link

ChEMBL

By standard InChI CHEMBL513494
By standard InChI Main Layer CHEMBL513494 CHEMBL1079119

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
Citrus paradisi 37656 Rutaceae rosids Viridiplantae

Human Protein / Gene in interaction

4 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
O94956 Solute carrier organic anion transporter family member 2B1 Unclassified protein CHEMBL513494 CHEMBL2076048 (1) CHEMBL2076049 (1)
0 / 0
P08183 Multidrug resistance protein 1 drug CHEMBL1079119 CHEMBL2077114 (1) CHEMBL2075213 (1)
CHEMBL2077308 (1) CHEMBL2078579 (1)
1 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL513494 CHEMBL1738606 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL513494 CHEMBL1079119 CHEMBL1108441 (1) CHEMBL1743422 (2)
CHEMBL1743445 (2) CHEMBL1743451 (1)
CHEMBL1959198 (1)
0 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (1)

OMIM preferred title UniProt
#612244 Inflammatory bowel disease 13; ibd13 P08183

KEGG DISEASE (1)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)