PCIDB

KNApSAcK Metabolite C00030200

Metabolite

KNApSAcK Entry

id C00030200
Name Ergosterol peroxide / Ergosterol 5,8-peroxide / (-)-Ergosterol 5,8-peroxide / 5alpha,8alpha-Epidioxyergosta-6,22-dien-3beta-ol / (-)-5alpha,8alpha-Epidioxyergosta-6,22-dien-3beta-ol
CAS RN 2061-64-5
Standard InChI InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2300

Link

ChEMBL

By standard InChI CHEMBL434750
By standard InChI Main Layer CHEMBL434750 CHEMBL515808 CHEMBL1801968 CHEMBL1969254

KEGG

By LinkDB

CTD

By CAS RN C036071

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q96RI1 Bile acid receptor NR1H4 CHEMBL434750 CHEMBL1921086 (1)
0 / 0

CTD interaction (1)

compound gene gene name gene description interaction interaction type form reference
pmid
C036071 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) ergosterol-5,8-peroxide results in increased activity of CASP3 protein increases activity
protein 20100469

Related Disease

Diseases related to CTD interactions

4 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D001424 C036071 Bacterial Infections therapeutic
19475991
D009369 C036071 Neoplasms therapeutic
19475991
D011471 C036071 Prostatic Neoplasms therapeutic
20100469
D014777 C036071 Virus Diseases therapeutic
19475991