PCIDB

KNApSAcK Metabolite C00002912

Metabolite

KNApSAcK Entry

id C00002912
Name Chebulinic acid
CAS RN 18942-26-2
Standard InChI InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22?,24-,30-,31+,33-,34?,41-/m0/s1
Standard InChI (Main Layer) InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)

Cluster

Phytochemical cluster No. 81
KCF-S cluster No. 226

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL501154 CHEMBL1159459 CHEMBL1391063

KEGG

By LinkDB C10215

CTD

By CAS RN C103481

Human Protein / Gene in interaction

29 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q07820 Induced myeloid leukemia cell differentiation protein Mcl-1 Other cytosolic protein CHEMBL1391063 CHEMBL1614529 (1)
0 / 0
Q9UIF8 Bromodomain adjacent to zinc finger domain protein 2B Unclassified protein CHEMBL1391063 CHEMBL1738312 (1)
0 / 0
P14618 Pyruvate kinase PKM Enzyme CHEMBL1391063 CHEMBL1613996 (1) CHEMBL1614428 (1)
0 / 0
P06746 DNA polymerase beta Enzyme CHEMBL1391063 CHEMBL1614079 (1)
0 / 0
P10253 Lysosomal alpha-glucosidase Hydrolase CHEMBL1391063 CHEMBL1614175 (1) CHEMBL1614076 (1)
1 / 1
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL1391063 CHEMBL1614474 (1)
0 / 0
P10828 Thyroid hormone receptor beta NR1A2 CHEMBL1391063 CHEMBL1613776 (1)
3 / 1
P54132 Bloom syndrome protein Enzyme CHEMBL1391063 CHEMBL1614067 (1)
1 / 2
Q9NR56 Muscleblind-like protein 1 Unclassified protein CHEMBL1391063 CHEMBL1614166 (1)
1 / 0
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL1391063 CHEMBL1614410 (1)
1 / 3
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL1391063 CHEMBL1614521 (1)
0 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL1391063 CHEMBL1614466 (1) CHEMBL1614211 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL1391063 CHEMBL1614421 (1) CHEMBL1614502 (1)
4 / 3
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1391063 CHEMBL1613914 (1)
0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme CHEMBL1391063 CHEMBL1613829 (1) CHEMBL1613928 (1)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL1391063 CHEMBL1614364 (1)
1 / 1
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL1391063 CHEMBL1738090 (1) CHEMBL1737904 (1)
CHEMBL1738444 (1)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL1391063 CHEMBL1738090 (1) CHEMBL1737904 (1)
CHEMBL1738444 (1)
1 / 6
Q05513 Protein kinase C zeta type Iota CHEMBL1159459 CHEMBL769344 (1)
0 / 0
Q04759 Protein kinase C theta type Delta CHEMBL1159459 CHEMBL769344 (1) CHEMBL768505 (1)
0 / 1
Q02156 Protein kinase C epsilon type Eta CHEMBL1159459 CHEMBL769344 (1) CHEMBL768505 (1)
0 / 0
O94806 Serine/threonine-protein kinase D3 Pkd CHEMBL1159459 CHEMBL769344 (1) CHEMBL768505 (1)
0 / 0
P17252 Protein kinase C alpha type Alpha CHEMBL1159459 CHEMBL769344 (1) CHEMBL768505 (1)
0 / 0
Q05655 Protein kinase C delta type Delta CHEMBL1159459 CHEMBL769344 (1) CHEMBL768505 (1)
0 / 0
P05129 Protein kinase C gamma type Alpha CHEMBL1159459 CHEMBL769344 (1) CHEMBL768505 (1)
1 / 1
P05771 Protein kinase C beta type Alpha CHEMBL1159459 CHEMBL769344 (1) CHEMBL768505 (1)
0 / 0
P24723 Protein kinase C eta type Eta CHEMBL1159459 CHEMBL769344 (1) CHEMBL768505 (1)
1 / 0
P41743 Protein kinase C iota type Iota CHEMBL1159459 CHEMBL769344 (1)
0 / 0
Q15139 Serine/threonine-protein kinase D1 Pkd CHEMBL1159459 CHEMBL769344 (1) CHEMBL768505 (1)
0 / 0

CTD interaction (10)

compound gene gene name gene description interaction interaction type form reference
pmid
C103481 43 ACHE
ACEE
ARACHE
N-ACHE
YT
acetylcholinesterase (EC:3.1.1.7) chebulinic acid results in decreased expression of ACHE protein decreases expression
protein 14769215
C103481 2623 GATA1
ERYF1
GATA-1
GF-1
GF1
NF-E1
NFE1
XLANP
XLTDA
XLTT
GATA binding protein 1 (globin transcription factor 1) chebulinic acid inhibits the reaction [Butyric Acid results in increased expression of GATA1 mRNA] decreases reaction
/ increases expression
mRNA 14769215
C103481 2623 GATA1
ERYF1
GATA-1
GF-1
GF1
NF-E1
NFE1
XLANP
XLTDA
XLTT
GATA binding protein 1 (globin transcription factor 1) chebulinic acid results in decreased expression of GATA1 mRNA decreases expression
mRNA 14769215
C103481 2624 GATA2
DCML
MONOMAC
NFE1B
GATA binding protein 2 chebulinic acid promotes the reaction [Butyric Acid results in increased expression of GATA2 mRNA] increases expression
/ increases reaction
mRNA 14769215
C103481 2624 GATA2
DCML
MONOMAC
NFE1B
GATA binding protein 2 chebulinic acid results in increased expression of GATA2 mRNA increases expression
mRNA 14769215
C103481 2993 GYPA
CD235a
GPA
GPErik
GPSAT
HGpMiV
HGpMiXI
HGpSta(C)
MN
MNS
PAS-2
glycophorin A (MNS blood group) chebulinic acid inhibits the reaction [Tetradecanoylphorbol Acetate results in increased expression of GYPA protein] decreases reaction
/ increases expression
protein 14769215
C103481 3145 HMBS
PBG-D
PBGD
PORC
UPS
hydroxymethylbilane synthase (EC:2.5.1.61) chebulinic acid inhibits the reaction [Butyric Acid results in increased expression of HMBS mRNA] decreases reaction
/ increases expression
mRNA 14769215
C103481 3145 HMBS
PBG-D
PBGD
PORC
UPS
hydroxymethylbilane synthase (EC:2.5.1.61) chebulinic acid results in decreased expression of HMBS mRNA decreases expression
mRNA 14769215
C103481 4778 NFE2
NF-E2
p45
nuclear factor, erythroid 2 chebulinic acid inhibits the reaction [Butyric Acid results in increased expression of NFE2 mRNA] decreases reaction
/ increases expression
mRNA 14769215
C103481 4778 NFE2
NF-E2
p45
nuclear factor, erythroid 2 chebulinic acid results in decreased expression of NFE2 mRNA decreases expression
mRNA 14769215

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (15)

OMIM preferred title UniProt
#210900 Bloom syndrome; blm P54132
#600274 Frontotemporal dementia; ftd P10636
#232300 Glycogen storage disease ii P10253
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#160900 Myotonic dystrophy 1; dm1 Q9NR56
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196
#605361 Spinocerebellar ataxia 14; sca14 P05129
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#601367 Stroke, ischemic P24723
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#188570 Thyroid hormone resistance, generalized, autosomal dominant; grth P10828
#274300 Thyroid hormone resistance, generalized, autosomal recessive; grth P10828
#145650 Thyroid hormone resistance, selective pituitary; prth P10828

KEGG DISEASE (14)

KEGG disease name UniProt
H00063 Spinocerebellar ataxia (SCA) P05129 (related)
Q9NUW8 (related)
H00069 Glycogen storage diseases (GSD) P10253 (related)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00249 Thyroid hormone resistance syndrome P10828 (related)
H00094 DNA repair defects P54132 (related)
H00296 Defects in RecQ helicases P54132 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q01196 (related)
Q01196 (marker)
Q03164 (related)
Q03164 (marker)
H00003 Acute myeloid leukemia (AML) Q01196 (related)
Q01196 (marker)
Q13951 (marker)
H00004 Chronic myeloid leukemia (CML) Q01196 (related)
H00978 Thrombocytopenia (THC) Q01196 (related)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)
H00408 Type I diabetes mellitus Q04759 (related)