PCIDB

KNApSAcK Metabolite C00001721

Metabolite

KNApSAcK Entry

id C00001721
Name alpha-Ergocryptine
CAS RN 511-09-1
Standard InChI InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1
Standard InChI (Main Layer) InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL1403281
By standard InChI Main Layer CHEMBL1324934 CHEMBL1355095 CHEMBL1361596 CHEMBL1403281

KEGG

By LinkDB C07545

CTD

By CAS RN C100269

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

42 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1324934 CHEMBL1741321 (1)
1 / 0
Q9UIF8 Bromodomain adjacent to zinc finger domain protein 2B Unclassified protein CHEMBL1361596 CHEMBL1738312 (1)
0 / 0
Q99700 Ataxin-2 Unclassified protein CHEMBL1361596 CHEMBL2114784 (1)
1 / 1
P49798 Regulator of G-protein signaling 4 Unclassified protein CHEMBL1403281 CHEMBL1794499 (1)
2 / 0
P10253 Lysosomal alpha-glucosidase Hydrolase CHEMBL1361596 CHEMBL1614076 (1)
1 / 1
P29466 Caspase-1 C14 CHEMBL1324934 CHEMBL1403281 CHEMBL1614158 (2)
0 / 0
Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Enzyme CHEMBL1361596 CHEMBL1403281 CHEMBL1794585 (2)
0 / 0
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL1324934 CHEMBL1361596 CHEMBL1403281 CHEMBL1614331 (1) CHEMBL1614474 (2)
0 / 0
P02545 Prelamin-A/C Unclassified protein CHEMBL1324934 CHEMBL1614544 (1)
11 / 10
P08183 Multidrug resistance protein 1 drug CHEMBL1403281 CHEMBL2076229 (1) CHEMBL2076230 (1)
1 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1324934 CHEMBL1355095 CHEMBL1614027 (1) CHEMBL1741325 (1)
0 / 1
Q9NR56 Muscleblind-like protein 1 Unclassified protein CHEMBL1361596 CHEMBL1614166 (1)
1 / 0
P11473 Vitamin D3 receptor NR1I1 CHEMBL1324934 CHEMBL1403281 CHEMBL1794311 (2)
2 / 3
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1324934 CHEMBL1361596 CHEMBL1403281 CHEMBL1614458 (4)
0 / 0
P17405 Sphingomyelin phosphodiesterase Enzyme CHEMBL1361596 CHEMBL1403281 CHEMBL1794495 (2)
2 / 2
Q16665 Hypoxia-inducible factor 1-alpha Transcription Factor CHEMBL1324934 CHEMBL1614456 (1) CHEMBL1613803 (1)
0 / 0
P39748 Flap endonuclease 1 Enzyme CHEMBL1403281 CHEMBL1794486 (1)
0 / 0
O75496 Geminin Unclassified protein CHEMBL1361596 CHEMBL1403281 CHEMBL2114780 (2)
0 / 0
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL1361596 CHEMBL1324934 CHEMBL1403281 CHEMBL1614257 (1) CHEMBL1614410 (1)
CHEMBL1614531 (3)
1 / 3
Q9HC16 DNA dC->dU-editing enzyme APOBEC-3G Enzyme CHEMBL1403281 CHEMBL1794342 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1324934 CHEMBL1794467 (1)
0 / 0
Q99816 Tumor susceptibility gene 101 protein Unclassified protein CHEMBL1361596 CHEMBL1403281 CHEMBL1738574 (2) CHEMBL2114927 (2)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1324934 CHEMBL1741322 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL1324934 CHEMBL1355095 CHEMBL1403281 CHEMBL1613910 (2) CHEMBL1614227 (1)
3 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL1324934 CHEMBL1361596 CHEMBL1403281 CHEMBL1614038 (3)
2 / 2
P55210 Caspase-7 C14 CHEMBL1324934 CHEMBL1403281 CHEMBL1613779 (2)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1324934 CHEMBL1355095 CHEMBL1613777 (1) CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1324934 CHEMBL1403281 CHEMBL1614108 (2) CHEMBL1613886 (2)
CHEMBL1741324 (1)
0 / 1
Q9UNA4 DNA polymerase iota Enzyme CHEMBL1361596 CHEMBL1403281 CHEMBL1794483 (2)
0 / 0
Q6W5P4 Neuropeptide S receptor Neuropeptide receptor CHEMBL1361596 CHEMBL1614052 (1)
1 / 0
O75164 Lysine-specific demethylase 4A Enzyme CHEMBL1361596 CHEMBL1403281 CHEMBL1737991 (2)
0 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL1324934 CHEMBL1361596 CHEMBL1403281 CHEMBL1614211 (3)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL1361596 CHEMBL1403281 CHEMBL1614250 (3) CHEMBL1614421 (3)
CHEMBL1614502 (3)
4 / 3
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL1403281 CHEMBL1738184 (1)
0 / 0
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL1403281 CHEMBL1794536 (1)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1324934 CHEMBL1361596 CHEMBL1403281 CHEMBL1613914 (3)
0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme CHEMBL1324934 CHEMBL1361596 CHEMBL1613829 (2)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL1324934 CHEMBL1361596 CHEMBL1403281 CHEMBL1738442 (3)
0 / 0
Q8IUX4 DNA dC->dU-editing enzyme APOBEC-3F Enzyme CHEMBL1403281 CHEMBL1963966 (1)
0 / 0
O00255 Menin Unclassified protein CHEMBL1324934 CHEMBL1361596 CHEMBL1403281 CHEMBL1614257 (1) CHEMBL1614531 (3)
2 / 5
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL1324934 CHEMBL1361596 CHEMBL1403281 CHEMBL1738090 (2) CHEMBL1613933 (4)
CHEMBL1737904 (2) CHEMBL1738444 (2)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL1324934 CHEMBL1361596 CHEMBL1403281 CHEMBL1738090 (2) CHEMBL1613933 (4)
CHEMBL1737904 (2) CHEMBL1738444 (2)
1 / 6

CTD interaction (1)

compound gene gene name gene description interaction interaction type form reference
pmid
C100269 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) ergocryptine results in increased activity of CASP3 protein increases activity
protein 21295106

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (37)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#608584 Asthma-related traits, susceptibility to, 2 Q6W5P4
#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
#600274 Frontotemporal dementia; ftd P10636
#232300 Glycogen storage disease ii P10253
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#145000 Hyperparathyroidism 1; hrpt1 O00255
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#612244 Inflammatory bowel disease 13; ibd13 P08183
#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
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#160900 Myotonic dystrophy 1; dm1 Q9NR56
#257200 Niemann-pick disease, type a P17405
#607616 Niemann-pick disease, type b P17405
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196
#275210 Restrictive dermopathy, lethal P02545
#604906 Schizophrenia 9; sczd9 P49798
#181500 Schizophrenia; sczd P49798
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (38)

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)
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)
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)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H01205 Coumarin resistance P11712 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H00137 Niemann-Pick disease (NPD) typeA and B P17405 (related)
H00424 Defects in the degradation of sphingomyelin P17405 (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)
H00063 Spinocerebellar ataxia (SCA) Q99700 (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)