PCIDB

KNApSAcK Metabolite C00036013

Metabolite

KNApSAcK Entry

id C00036013
Name 4-epi-abietic acid
CAS RN 24563-90-4
Standard InChI InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20-/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)

Cluster

Phytochemical cluster No. 40
KCF-S cluster No. 1536

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL71893 CHEMBL1336124 CHEMBL1357151 CHEMBL1514489 CHEMBL1552001

KEGG

By LinkDB

CTD

By CAS RN

Human Protein / Gene in interaction

18 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P35354 Prostaglandin G/H synthase 2 Oxidoreductase CHEMBL71893 CHEMBL1014033 (1)
0 / 3
P02545 Prelamin-A/C Unclassified protein CHEMBL71893 CHEMBL1614544 (1)
11 / 10
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1336124 CHEMBL1614027 (1)
0 / 1
P11473 Vitamin D3 receptor NR1I1 CHEMBL71893 CHEMBL1552001 CHEMBL1794311 (2)
2 / 3
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1357151 CHEMBL1614458 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1552001 CHEMBL1794467 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL1336124 CHEMBL1357151 CHEMBL1552001 CHEMBL1613910 (2) CHEMBL1614227 (1)
3 / 3
P16050 Arachidonate 15-lipoxygenase Enzyme CHEMBL1357151 CHEMBL1552001 CHEMBL1614240 (2)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1336124 CHEMBL1613777 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1552001 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL1552001 CHEMBL1614421 (1)
4 / 3
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1357151 CHEMBL1613914 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL71893 CHEMBL1738442 (1)
0 / 0
Q15118 [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 1, mitochondrial Pdhk CHEMBL71893 CHEMBL764813 (1)
0 / 0
Q16654 [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 4, mitochondrial Pdhk CHEMBL71893 CHEMBL764813 (1)
0 / 0
Q15119 [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, mitochondrial Pdhk CHEMBL71893 CHEMBL764813 (1)
0 / 0
Q15120 [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 3, mitochondrial Pdhk CHEMBL71893 CHEMBL764813 (1)
1 / 0
O94925 Glutaminase kidney isoform, mitochondrial Enzyme CHEMBL71893 CHEMBL2114738 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (22)

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
#300905 Charcot-marie-tooth disease, x-linked dominant, 6; cmtx6 Q15120
#609535 Drug metabolism, poor, cyp2c19-related P33261
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#600274 Frontotemporal dementia; ftd P10636
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#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
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#275210 Restrictive dermopathy, lethal P02545
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (25)

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)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00017 Esophageal cancer P35354 (related)
H00025 Penile cancer P35354 (related)
H00046 Cholangiocarcinoma P35354 (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)