PCIDB

KNApSAcK Metabolite C00026108

Metabolite

KNApSAcK Entry

id C00026108
Name Aequaline / Discretamine / (-)-Discretamine
CAS RN 1356-73-6
Standard InChI InChI=1S/C19H21NO4/c1-23-18-9-13-12(8-17(18)22)5-6-20-10-14-11(7-15(13)20)3-4-16(21)19(14)24-2/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1
Standard InChI (Main Layer) InChI=1S/C19H21NO4/c1-23-18-9-13-12(8-17(18)22)5-6-20-10-14-11(7-15(13)20)3-4-16(21)19(14)24-2/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 37

Link

ChEMBL

By standard InChI CHEMBL320397
By standard InChI Main Layer CHEMBL320397 CHEMBL2334883

KEGG

By LinkDB

CTD

By CAS RN

Human Protein / Gene in interaction

7 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P21728 D(1A) dopamine receptor Dopamine receptor CHEMBL320397 CHEMBL2334883 CHEMBL2343280 (2) CHEMBL2343284 (2)
0 / 0
P14416 D(2) dopamine receptor Dopamine receptor CHEMBL320397 CHEMBL2334883 CHEMBL2343279 (2) CHEMBL2343283 (2)
2 / 0
P35348 Alpha-1A adrenergic receptor Adrenergic receptor CHEMBL320397 CHEMBL652818 (1) CHEMBL850076 (1)
CHEMBL829974 (1)
0 / 0
P28223 5-hydroxytryptamine receptor 2A Serotonin receptor CHEMBL320397 CHEMBL2334883 CHEMBL2343277 (2) CHEMBL2343281 (2)
0 / 0
P08908 5-hydroxytryptamine receptor 1A Serotonin receptor CHEMBL320397 CHEMBL2334883 CHEMBL2343278 (2) CHEMBL2343282 (2)
1 / 0
P25100 Alpha-1D adrenergic receptor Adrenergic receptor CHEMBL320397 CHEMBL646097 (1) CHEMBL850076 (1)
0 / 0
P35368 Alpha-1B adrenergic receptor Adrenergic receptor CHEMBL320397 CHEMBL648993 (1) CHEMBL850076 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (3)

OMIM preferred title UniProt
#103780 Alcohol dependence P14416
#159900 Myoclonic dystonia P14416
#614674 Periodic fever, menstrual cycle-dependent P08908