PCIDB

KNApSAcK Metabolite C00035937

Metabolite

KNApSAcK Entry

id C00035937
Name 3-O-beta-D-Quinovopyranosyl quinovic acid / Quinovic acid 3-O-beta-D-quinovopyranoside
CAS RN 107870-05-3
Standard InChI InChI=1S/C36H56O9/c1-18-10-15-35(30(40)41)16-17-36(31(42)43)21(25(35)19(18)2)8-9-23-33(6)13-12-24(32(4,5)22(33)11-14-34(23,36)7)45-29-28(39)27(38)26(37)20(3)44-29/h8,18-20,22-29,37-39H,9-17H2,1-7H3,(H,40,41)(H,42,43)/t18-,19+,20-,22+,23-,24+,25+,26-,27+,28-,29+,33+,34-,35+,36-/m1/s1
Standard InChI (Main Layer) InChI=1S/C36H56O9/c1-18-10-15-35(30(40)41)16-17-36(31(42)43)21(25(35)19(18)2)8-9-23-33(6)13-12-24(32(4,5)22(33)11-14-34(23,36)7)45-29-28(39)27(38)26(37)20(3)44-29/h8,18-20,22-29,37-39H,9-17H2,1-7H3,(H,40,41)(H,42,43)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 50

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1095351 CHEMBL2004883

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
Neonauclea sessilifolia 165066 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)
P11387 DNA topoisomerase 1 Isomerase CHEMBL1095351 CHEMBL1111926 (1)
0 / 0
P11388 DNA topoisomerase 2-alpha Isomerase CHEMBL1095351 CHEMBL1111927 (1)
0 / 0