PCIDB

KNApSAcK Metabolite C00035935

Metabolite

KNApSAcK Entry

id C00035935
Name 3-O-beta-D-Glucopyranosyl quinovic acid / Quinovic acid 3-O-beta-D-glucopyranoside
CAS RN 79955-41-2
Standard InChI InChI=1S/C36H56O10/c1-18-9-14-35(30(41)42)15-16-36(31(43)44)20(25(35)19(18)2)7-8-23-33(5)12-11-24(32(3,4)22(33)10-13-34(23,36)6)46-29-28(40)27(39)26(38)21(17-37)45-29/h7,18-19,21-29,37-40H,8-17H2,1-6H3,(H,41,42)(H,43,44)/t18-,19+,21-,22+,23-,24+,25+,26-,27+,28-,29+,33+,34-,35?,36-/m1/s1
Standard InChI (Main Layer) InChI=1S/C36H56O10/c1-18-9-14-35(30(41)42)15-16-36(31(43)44)20(25(35)19(18)2)7-8-23-33(5)12-11-24(32(3,4)22(33)10-13-34(23,36)6)46-29-28(40)27(39)26(38)21(17-37)45-29/h7,18-19,21-29,37-40H,8-17H2,1-6H3,(H,41,42)(H,43,44)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL508407

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 CHEMBL508407 CHEMBL1111926 (1)
0 / 0
P11388 DNA topoisomerase 2-alpha Isomerase CHEMBL508407 CHEMBL1111927 (1)
0 / 0