Metabolite

KNApSAcK Entry

id C00001631
Name Delcorine
CAS RN 52358-55-1
Standard InChI InChI=1S/C26H41NO7/c1-6-27-11-23(12-29-2)8-7-17(31-4)25-15-9-14-16(30-3)10-24(18(15)19(14)32-5)26(22(25)27,34-13-33-24)21(28)20(23)25/h14-22,28H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+,22?,23?,24-,25+,26-/m1/s1
Standard InChI (Main Layer) InChI=1S/C26H41NO7/c1-6-27-11-23(12-29-2)8-7-17(31-4)25-15-9-14-16(30-3)10-24(18(15)19(14)32-5)26(22(25)27,34-13-33-24)21(28)20(23)25/h14-22,28H,6-13H2,1-5H3

Cluster

Phytochemical cluster No. 10
KCF-S cluster No. 31

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1396858 CHEMBL1742074 CHEMBL1868972 CHEMBL2112852

KEGG

By LinkDB C08675

CTD

By CAS RN

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 CHEMBL1742074 CHEMBL1741321 (1)
1 / 0
P49798 Regulator of G-protein signaling 4 Unclassified protein CHEMBL1868972 CHEMBL1794499 (1)
2 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1742074 CHEMBL1741325 (1)
0 / 1
O75496 Geminin Unclassified protein CHEMBL1396858 CHEMBL2114780 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1742074 CHEMBL1741322 (1)
0 / 0
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL1396858 CHEMBL1738588 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1742074 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1742074 CHEMBL1741324 (1)
0 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (4)

OMIM preferred title UniProt
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#604906 Schizophrenia 9; sczd9 P49798
#181500 Schizophrenia; sczd P49798

KEGG DISEASE (3)

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