PCIDB

KNApSAcK Metabolite C00042730

Metabolite

KNApSAcK Entry

id C00042730
Name Messagenic acid F
CAS RN 167101-66-8
Standard InChI InChI=1S/C30H46O4/c1-18(17-31)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-27(4)12-11-23(32)26(2,3)21(27)10-13-29(22,28)6/h17,19-24,32H,1,7-16H2,2-6H3,(H,33,34)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H46O4/c1-18(17-31)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-27(4)12-11-23(32)26(2,3)21(27)10-13-29(22,28)6/h17,19-24,32H,1,7-16H2,2-6H3,(H,33,34)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 23

Link

ChEMBL

By standard InChI CHEMBL1078221
By standard InChI Main Layer CHEMBL1078221

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Fabaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Melilotus messanensis 1279044 Fabaceae rosids Viridiplantae

Human Protein / Gene in interaction

2 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P11387 DNA topoisomerase 1 Isomerase CHEMBL1078221 CHEMBL1108448 (1)
0 / 0
P11388 DNA topoisomerase 2-alpha Isomerase CHEMBL1078221 CHEMBL1108449 (1)
0 / 0