PCIDB

KNApSAcK Metabolite C00003704

Metabolite

KNApSAcK Entry

id C00003704
Name Brusatol
CAS RN 14907-98-3
Standard InChI InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1
Standard InChI (Main Layer) InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 2130

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL450464 CHEMBL1702665

KEGG

By LinkDB C08754

CTD

By CAS RN C020237

Species

Summary

Plant class

class name count
rosids 2

Family

family name count
Simaroubaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Brucea japonica 43722 Simaroubaceae rosids Viridiplantae
Brucea sumatrana 43722 Simaroubaceae rosids Viridiplantae

Human Protein / Gene in interaction

9 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q99700 Ataxin-2 Unclassified protein CHEMBL1702665 CHEMBL2114784 (1)
1 / 1
P49798 Regulator of G-protein signaling 4 Unclassified protein CHEMBL1702665 CHEMBL1794499 (1)
2 / 0
P37840 Alpha-synuclein Unclassified protein CHEMBL1702665 CHEMBL2354282 (1)
4 / 2
O75496 Geminin Unclassified protein CHEMBL1702665 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
P63092 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short Other membrane protein CHEMBL1702665 CHEMBL2114810 (1)
7 / 3
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL1702665 CHEMBL1794401 (1)
0 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL1702665 CHEMBL1738184 (1)
0 / 0
P05412 Transcription factor AP-1 Transcription Factor CHEMBL450464 CHEMBL1061338 (1) CHEMBL1061341 (1)
0 / 0
Q06710 Paired box protein Pax-8 Unclassified protein CHEMBL1702665 CHEMBL2354301 (1)
1 / 2

CTD interaction (4)

compound gene gene name gene description interaction interaction type form reference
pmid
C020237 9817 KEAP1
INrf2
KLHL19
kelch-like ECH-associated protein 1 [KEAP1 protein results in decreased expression of NFE2L2 protein] which results in decreased susceptibility to brusatol decreases expression
/ decreases response to substance
protein 21205897
C020237 4780 NFE2L2
NRF2
nuclear factor, erythroid 2-like 2 brusatol results in increased ubiquitination of and results in increased degradation of NFE2L2 protein increases degradation
/ increases ubiquitination
protein 21205897
C020237 4780 NFE2L2
NRF2
nuclear factor, erythroid 2-like 2 [brusatol results in increased ubiquitination of and results in increased degradation of NFE2L2 protein] which results in increased susceptibility to Cisplatin increases degradation
/ increases response to substance
/ increases ubiquitination
protein 21205897
C020237 4780 NFE2L2
NRF2
nuclear factor, erythroid 2-like 2 [KEAP1 protein results in decreased expression of NFE2L2 protein] which results in decreased susceptibility to brusatol decreases expression
/ decreases response to substance
protein 21205897

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (15)

OMIM preferred title UniProt
#219080 Acth-independent macronodular adrenal hyperplasia; aimah P63092
#127750 Dementia, lewy body; dlb P37840
#218700 Hypothyroidism, congenital, nongoitrous, 2; chng2 Q06710
#174800 Mccune-albright syndrome; mas P63092
#166350 Osseous heteroplasia, progressive; poh P63092
#168601 Parkinson disease 1, autosomal dominant; park1 P37840
#605543 Parkinson disease 4, autosomal dominant; park4 P37840
#168600 Parkinson disease, late-onset; pd P37840
#102200 Pituitary adenoma, growth hormone-secreting P63092
#103580 Pseudohypoparathyroidism, type ia; php1a P63092
#603233 Pseudohypoparathyroidism, type ib; php1b P63092
#612462 Pseudohypoparathyroidism, type ic; php1c P63092
#604906 Schizophrenia 9; sczd9 P49798
#181500 Schizophrenia; sczd P49798
#183090 Spinocerebellar ataxia 2; sca2 Q99700

KEGG DISEASE (8)

KEGG disease name UniProt
H00057 Parkinson's disease (PD) P37840 (related)
H00066 Lewy body dementia (LBD) P37840 (related)
H00244 Pseudohypoparathyroidism P63092 (related)
H00441 Progressive osseous heteroplasia (POH) P63092 (related)
H00501 Fibrous dysplasia, polyostotic P63092 (related)
H00032 Thyroid cancer Q06710 (related)
H00250 Congenital nongoitrous hypothyroidism (CHNG) Q06710 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)