PCIDB

KNApSAcK Metabolite C00025859

Metabolite

KNApSAcK Entry

id C00025859
Name Dregamine / (-)-Dregamine / 20-Epitabernemontanine
CAS RN 2299-26-5
Standard InChI InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3/t12?,14?,17?,19-/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1771

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL564301 CHEMBL1480853 CHEMBL1594801 CHEMBL1967575 CHEMBL2006905

KEGG

By LinkDB

CTD

By CAS RN

Human Protein / Gene in interaction

9 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1594801 CHEMBL1614110 (1) CHEMBL1741321 (1)
1 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1594801 CHEMBL1741325 (1)
0 / 1
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1594801 CHEMBL1614458 (1)
0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL1480853 CHEMBL1738606 (1)
0 / 0
P51151 Ras-related protein Rab-9A Unclassified protein CHEMBL1480853 CHEMBL1613838 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1594801 CHEMBL1741322 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1594801 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1594801 CHEMBL1741324 (1)
0 / 1
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1480853 CHEMBL1613914 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM preferred title UniProt
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635

KEGG DISEASE (3)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (related)