PCIDB

KNApSAcK Metabolite C00002090

Metabolite

KNApSAcK Entry

id C00002090
Name Heliotrine
CAS RN 303-33-3
Standard InChI InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11-,13+,14-,16+/m1/s1
Standard InChI (Main Layer) InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3

Cluster

Phytochemical cluster No. 2
KCF-S cluster No. 308

Link

ChEMBL

By standard InChI CHEMBL2165593
By standard InChI Main Layer CHEMBL1474445 CHEMBL1978598 CHEMBL2165593

KEGG

By LinkDB C10324

CTD

By CAS RN C010178

Human Protein / Gene in interaction

6 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1474445 CHEMBL1614110 (1) CHEMBL1741321 (1)
1 / 0
Q99700 Ataxin-2 Unclassified protein CHEMBL1474445 CHEMBL2114784 (1)
1 / 1
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1474445 CHEMBL1741325 (1)
0 / 1
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1474445 CHEMBL1741322 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1474445 CHEMBL1613777 (1) CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1474445 CHEMBL1741324 (1)
0 / 1

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)