PCIDB

KNApSAcK Metabolite C00001720

Metabolite

KNApSAcK Entry

id C00001720
Name Ergocristine
CAS RN 511-08-0
Standard InChI InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1
Standard InChI (Main Layer) InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 271

Link

ChEMBL

By standard InChI CHEMBL446315
By standard InChI Main Layer CHEMBL446315 CHEMBL1433680 CHEMBL1440256 CHEMBL1486540

KEGG

By LinkDB C09164

CTD

By CAS RN C100270

Species

Summary

Plant class

class name count

Family

family name count
Clavicipitaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Claviceps grohii 89176 Clavicipitaceae Fungi
Claviceps purpurea 5111 Clavicipitaceae Fungi

Human Protein / Gene in interaction

27 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q16637 Survival motor neuron protein Unclassified protein CHEMBL446315 CHEMBL1613842 (1)
4 / 2
P04062 Glucosylceramidase Enzyme CHEMBL446315 CHEMBL1613818 (1)
6 / 4
P29466 Caspase-1 C14 CHEMBL1433680 CHEMBL1614158 (1)
0 / 0
P10828 Thyroid hormone receptor beta NR1A2 CHEMBL446315 CHEMBL1614554 (1)
3 / 1
P08183 Multidrug resistance protein 1 drug CHEMBL446315 CHEMBL2076229 (1) CHEMBL2076230 (1)
1 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1440256 CHEMBL1486540 CHEMBL1614027 (2)
0 / 1
Q9NR56 Muscleblind-like protein 1 Unclassified protein CHEMBL446315 CHEMBL1614166 (1)
1 / 0
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL446315 CHEMBL1433680 CHEMBL1614458 (2)
0 / 0
Q16665 Hypoxia-inducible factor 1-alpha Transcription Factor CHEMBL446315 CHEMBL1486540 CHEMBL1614456 (2) CHEMBL1613803 (2)
0 / 0
O75496 Geminin Unclassified protein CHEMBL446315 CHEMBL2114780 (1)
0 / 0
P06280 Alpha-galactosidase A Enzyme CHEMBL1433680 CHEMBL1614369 (1)
1 / 1
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL1433680 CHEMBL1486540 CHEMBL1613910 (1) CHEMBL1614227 (1)
3 / 3
Q92887 Canalicular multispecific organic anion transporter 1 Unclassified protein CHEMBL446315 CHEMBL1006005 (1)
1 / 1
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL446315 CHEMBL1433680 CHEMBL1614038 (2)
2 / 2
P55210 Caspase-7 C14 CHEMBL1433680 CHEMBL1613779 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1440256 CHEMBL1613777 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1433680 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL446315 CHEMBL1433680 CHEMBL1614211 (2)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL446315 CHEMBL1433680 CHEMBL1614250 (1) CHEMBL1614421 (2)
CHEMBL1614502 (1)
4 / 3
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL1433680 CHEMBL1794536 (1)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL446315 CHEMBL1433680 CHEMBL1613914 (2)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL446315 CHEMBL1738442 (1)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL1433680 CHEMBL1614364 (1)
1 / 1
O00255 Menin Unclassified protein CHEMBL446315 CHEMBL1433680 CHEMBL1614531 (2)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL446315 CHEMBL1433680 CHEMBL1614531 (2)
1 / 3
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL446315 CHEMBL1433680 CHEMBL1613933 (2)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL446315 CHEMBL1433680 CHEMBL1613933 (2)
1 / 6

CTD interaction (1)

compound gene gene name gene description interaction interaction type form reference
pmid
C100270 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) ergocristine results in increased activity of CASP3 protein increases activity
protein 21295106

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (32)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#119900 Digital clubbing, isolated congenital P15428
#609535 Drug metabolism, poor, cyp2c19-related P33261
#237500 Dubin-johnson syndrome; djs Q92887
#301500 Fabry disease P06280
#600274 Frontotemporal dementia; ftd P10636
#608013 Gaucher disease, perinatal lethal P04062
#230800 Gaucher disease, type i P04062
#230900 Gaucher disease, type ii P04062
#231000 Gaucher disease, type iii P04062
#231005 Gaucher disease, type iiic P04062
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#612244 Inflammatory bowel disease 13; ibd13 P08183
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#160900 Myotonic dystrophy 1; dm1 Q9NR56
#168600 Parkinson disease, late-onset; pd P04062
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196
#253300 Spinal muscular atrophy, type i; sma1 Q16637
#253550 Spinal muscular atrophy, type ii; sma2 Q16637
#253400 Spinal muscular atrophy, type iii; sma3 Q16637
#271150 Spinal muscular atrophy, type iv; sma4 Q16637
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#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 (30)

KEGG disease name UniProt
H00033 Adrenal carcinoma O00255 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
H00066 Lewy body dementia (LBD) P04062 (related)
H00126 Gaucher disease P04062 (related)
H00426 Defects in the degradation of ganglioside P04062 (related)
H00810 Progressive myoclonic epilepsy (PME) P04062 (related)
H00125 Fabry disease P06280 (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)
H00249 Thyroid hormone resistance syndrome P10828 (related)
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)
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)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
Q16637 (related)
H00208 Hyperbilirubinemia Q92887 (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)
H00063 Spinocerebellar ataxia (SCA) Q9NUW8 (related)