PCIDB

KNApSAcK Metabolite C00001723

Metabolite

KNApSAcK Entry

id C00001723
Name Ergosine
CAS RN 561-94-4
Standard InChI InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C09167

CTD

By CAS RN C030041

Human Protein / Gene in interaction

CTD interaction (1)

compound gene gene name gene description interaction interaction type form reference
pmid
C030041 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) ergosine results in increased activity of CASP3 protein increases activity
protein 21295106