PCIDB

KNApSAcK Metabolite C00031992

Metabolite

KNApSAcK Entry

id C00031992
Name Macelignan
CAS RN 107534-93-0
Standard InChI InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3

Cluster

Phytochemical cluster No. 21
KCF-S cluster No. 282

Link

ChEMBL

By standard InChI CHEMBL254071
By standard InChI Main Layer CHEMBL254071

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Leucas aspera 483811 Lamiaceae asterids Viridiplantae

Human Protein / Gene in interaction

8 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q99700 Ataxin-2 Unclassified protein CHEMBL254071 CHEMBL2114784 (1)
1 / 1
P10253 Lysosomal alpha-glucosidase Hydrolase CHEMBL254071 CHEMBL1614076 (1)
1 / 1
Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Enzyme CHEMBL254071 CHEMBL1794585 (1)
0 / 0
Q13315 Serine-protein kinase ATM Atypical serine/threonine protein kinase PIKK subfamily CHEMBL254071 CHEMBL1614153 (1)
1 / 4
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL254071 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL254071 CHEMBL2114843 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL254071 CHEMBL1614421 (1)
4 / 3
Q13148 TAR DNA-binding protein 43 Unclassified protein CHEMBL254071 CHEMBL2354287 (1)
1 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (10)

OMIM preferred title UniProt
#612069 Amyotrophic lateral sclerosis 10, with or without frontotemporal dementia; als10 Q13148
#208900 Ataxia-telangiectasia; at Q13315
#114500 Colorectal cancer; crc P84022
#600274 Frontotemporal dementia; ftd P10636
#232300 Glycogen storage disease ii P10253
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636

KEGG DISEASE (9)

KEGG disease name UniProt
H00069 Glycogen storage diseases (GSD) P10253 (related)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
Q13148 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00005 Chronic lymphocytic leukemia (CLL) Q13315 (related)
H00064 Ataxia telangiectasia (AT) Q13315 (related)
H00094 DNA repair defects Q13315 (related)
H00848 Ataxia with ocular apraxia (AOA) Q13315 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)