PCIDB

KNApSAcK Metabolite C00002270

Metabolite

KNApSAcK Entry

id C00002270
Name Veratramine
CAS RN 60-70-8
Standard InChI InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17-,19-,22-,24-,25+,26-,27-/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 1681

Link

ChEMBL

By standard InChI CHEMBL464724
By standard InChI Main Layer CHEMBL464724 CHEMBL1398335

KEGG

By LinkDB C10829

CTD

By CAS RN C009649

Human Protein / Gene in interaction

7 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1398335 CHEMBL1741321 (1)
1 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1398335 CHEMBL1741325 (1)
0 / 1
P06276 Cholinesterase Hydrolase CHEMBL464724 CHEMBL2166019 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1398335 CHEMBL1741322 (1)
0 / 0
P16050 Arachidonate 15-lipoxygenase Enzyme CHEMBL1398335 CHEMBL1614240 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1398335 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1398335 CHEMBL1614108 (1) CHEMBL1613886 (1)
CHEMBL1741324 (1)
0 / 1

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)