PCIDB

KNApSAcK Metabolite C00002169

Metabolite

KNApSAcK Entry

id C00002169
Name Graveoline
CAS RN 485-61-0
Standard InChI InChI=1S/C17H13NO3/c1-18-13-5-3-2-4-12(13)15(19)9-14(18)11-6-7-16-17(8-11)21-10-20-16/h2-9H,10H2,1H3
Standard InChI (Main Layer) InChI=1S/C17H13NO3/c1-18-13-5-3-2-4-12(13)15(19)9-14(18)11-6-7-16-17(8-11)21-10-20-16/h2-9H,10H2,1H3

Cluster

Phytochemical cluster No. 7
KCF-S cluster No. 1363

Link

ChEMBL

By standard InChI CHEMBL1371756
By standard InChI Main Layer CHEMBL1371756

KEGG

By LinkDB C10689

CTD

By CAS RN

Human Protein / Gene in interaction

12 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1371756 CHEMBL1614110 (1) CHEMBL1741321 (1)
1 / 0
P02545 Prelamin-A/C Unclassified protein CHEMBL1371756 CHEMBL1614544 (1)
11 / 10
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1371756 CHEMBL1741325 (1)
0 / 1
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1371756 CHEMBL1614458 (2)
0 / 0
Q16665 Hypoxia-inducible factor 1-alpha Transcription Factor CHEMBL1371756 CHEMBL1614456 (1) CHEMBL1613803 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL1371756 CHEMBL2114788 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1371756 CHEMBL1741322 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL1371756 CHEMBL1613910 (1)
3 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL1371756 CHEMBL1614038 (1)
2 / 2
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1371756 CHEMBL1613777 (1) CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1371756 CHEMBL1614108 (1) CHEMBL1613886 (1)
CHEMBL1741324 (1)
0 / 1
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1371756 CHEMBL1613914 (2)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (18)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#119900 Digital clubbing, isolated congenital P15428
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#275210 Restrictive dermopathy, lethal P02545

KEGG DISEASE (18)

KEGG disease name UniProt
H00264 Charcot-Marie-Tooth disease (CMT) P02545 (related)
H00294 Dilated cardiomyopathy (DCM) P02545 (related)
H00420 Familial partial lipodystrophy (FPL) P02545 (related)
H00563 Emery-Dreifuss muscular dystrophy P02545 (related)
H00590 Congenital muscular dystrophies (CMD/MDC) P02545 (related)
H00593 Limb-girdle muscular dystrophy (LGMD) P02545 (related)
H00601 Hutchinson-Gilford progeria syndrome P02545 (related)
H00663 Restrictive dermopathy P02545 (related)
H00665 Mandibuloacral dysplasia P02545 (related)
H01216 Left ventricular noncompaction (LVNC) P02545 (related)
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00480 Non-syndromic X-linked mental retardation Q99714 (related)
H00658 Syndromic X-linked mental retardation Q99714 (related)
H00925 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency Q99714 (related)