PCIDB

KNApSAcK Metabolite C00047578

Metabolite

KNApSAcK Entry

id C00047578
Name Sootepin B / (+)-Sootepin B
CAS RN 1154518-94-1
Standard InChI InChI=1S/C30H44O4/c1-18(2)8-7-9-19(3)21-10-12-28(6)23-16-22-25(20(4)26(33)34-22)30(13-11-24(31)32)17-29(23,30)15-14-27(21,28)5/h8,19,21-23,25H,4,7,9-17H2,1-3,5-6H3,(H,31,32)/t19-,21-,22-,23+,25-,27-,28+,29+,30-/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H44O4/c1-18(2)8-7-9-19(3)21-10-12-28(6)23-16-22-25(20(4)26(33)34-22)30(13-11-24(31)32)17-29(23,30)15-14-27(21,28)5/h8,19,21-23,25H,4,7,9-17H2,1-3,5-6H3,(H,31,32)

Cluster

Phytochemical cluster
KCF-S cluster No. 831

Link

ChEMBL

By standard InChI CHEMBL563095
By standard InChI Main Layer CHEMBL563095

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Gardenia sootepensis 1233751 Rubiaceae asterids Viridiplantae

Human Protein / Gene in interaction

2 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL563095 CHEMBL1942889 (1) CHEMBL1942890 (1)
0 / 0
P27361 Mitogen-activated protein kinase 3 Erk CHEMBL563095 CHEMBL1942889 (1) CHEMBL1942890 (1)
0 / 0