PCIDB

KNApSAcK Metabolite C00001572

Metabolite

KNApSAcK Entry

id C00001572
Name Hippeastrine
CAS RN 477-17-8
Standard InChI InChI=1S/C17H17NO5/c1-18-3-2-8-4-11(19)16-14(15(8)18)9-5-12-13(22-7-21-12)6-10(9)17(20)23-16/h4-6,11,14-16,19H,2-3,7H2,1H3/t11-,14-,15+,16+/m0/s1
Standard InChI (Main Layer) InChI=1S/C17H17NO5/c1-18-3-2-8-4-11(19)16-14(15(8)18)9-5-12-13(22-7-21-12)6-10(9)17(20)23-16/h4-6,11,14-16,19H,2-3,7H2,1H3

Cluster

Phytochemical cluster
KCF-S cluster No. 715

Link

ChEMBL

By standard InChI CHEMBL457606
By standard InChI Main Layer CHEMBL457606 CHEMBL1333401 CHEMBL1515264

KEGG

By LinkDB C08528

CTD

By CAS RN C060577

Human Protein / Gene in interaction

8 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1333401 CHEMBL1614110 (1) CHEMBL1741321 (1)
1 / 0
Q99700 Ataxin-2 Unclassified protein CHEMBL1333401 CHEMBL2114784 (1)
1 / 1
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1333401 CHEMBL1741325 (1)
0 / 1
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1333401 CHEMBL1515264 CHEMBL1614458 (2)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1333401 CHEMBL1741322 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1333401 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1333401 CHEMBL1741324 (1)
0 / 1
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1333401 CHEMBL1515264 CHEMBL1613914 (2)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (3)

OMIM preferred title UniProt
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#183090 Spinocerebellar ataxia 2; sca2 Q99700

KEGG DISEASE (4)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)