Metabolite

KNApSAcK Entry

id C00001656
Name Napelline / Luciculine
CAS RN 5008-52-6
Standard InChI InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13+,14+,15-,16-,17+,18+,19-,20+,21+,22?/m1/s1
Standard InChI (Main Layer) InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3

Cluster

Phytochemical cluster No. 10
KCF-S cluster No. 124

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1487558 CHEMBL1741394

KEGG

By LinkDB C08700

CTD

By CAS RN C109326

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 CHEMBL1741394 CHEMBL1741321 (1)
1 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1741394 CHEMBL1741325 (1)
0 / 1
P11308 Transcriptional regulator ERG Unclassified protein CHEMBL1487558 CHEMBL2114924 (1)
1 / 2
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL1487558 CHEMBL1794401 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1741394 CHEMBL1741322 (1)
0 / 0
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL1487558 CHEMBL1738588 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1741394 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1741394 CHEMBL1741324 (1)
0 / 1
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL1487558 CHEMBL1738442 (1)
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
#612219 Ewing sarcoma; es P11308

KEGG DISEASE (5)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H00024 Prostate cancer P11308 (related)
H00035 Ewing's sarcoma P11308 (related)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (related)