PCIDB

KNApSAcK Metabolite C00041293

Metabolite

KNApSAcK Entry

id C00041293
Name 8,9-Dihydrobarettin
CAS RN 672954-16-4
Standard InChI InChI=1S/C17H21BrN6O2/c18-10-3-4-11-9(8-22-13(11)7-10)6-14-16(26)23-12(15(25)24-14)2-1-5-21-17(19)20/h3-4,7-8,12,14,22H,1-2,5-6H2,(H,23,26)(H,24,25)(H4,19,20,21)
Standard InChI (Main Layer) InChI=1S/C17H21BrN6O2/c18-10-3-4-11-9(8-22-13(11)7-10)6-14-16(26)23-12(15(25)24-14)2-1-5-21-17(19)20/h3-4,7-8,12,14,22H,1-2,5-6H2,(H,23,26)(H,24,25)(H4,19,20,21)

Cluster

Phytochemical cluster
KCF-S cluster No. 4642

Link

ChEMBL

By standard InChI CHEMBL1187656
By standard InChI Main Layer CHEMBL401607 CHEMBL511609 CHEMBL1187656

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Geodiidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Geodia barretti 519541 Geodiidae Metazoa

Human Protein / Gene in interaction

9 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q13639 5-hydroxytryptamine receptor 4 Serotonin receptor CHEMBL401607 CHEMBL511609 CHEMBL921498 (1) CHEMBL979354 (1)
0 / 0
P34969 5-hydroxytryptamine receptor 7 Serotonin receptor CHEMBL511609 CHEMBL979357 (1)
0 / 0
P47898 5-hydroxytryptamine receptor 5A Serotonin receptor CHEMBL511609 CHEMBL979355 (1)
0 / 0
P46098 5-hydroxytryptamine receptor 3A NS CHEMBL511609 CHEMBL979353 (1)
0 / 0
P50406 5-hydroxytryptamine receptor 6 Serotonin receptor CHEMBL511609 CHEMBL979356 (1)
0 / 0
P28223 5-hydroxytryptamine receptor 2A Serotonin receptor CHEMBL511609 CHEMBL979351 (1)
0 / 0
P28335 5-hydroxytryptamine receptor 2C Serotonin receptor CHEMBL511609 CHEMBL979352 (1)
0 / 0
P08908 5-hydroxytryptamine receptor 1A Serotonin receptor CHEMBL511609 CHEMBL979349 (1)
1 / 0
P28221 5-hydroxytryptamine receptor 1D Serotonin receptor CHEMBL511609 CHEMBL979350 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (1)

OMIM preferred title UniProt
#614674 Periodic fever, menstrual cycle-dependent P08908