PCIDB

KNApSAcK Metabolite C00037916

Metabolite

KNApSAcK Entry

id C00037916
Name Thymoquinol 2-O-beta-glucopyranoside / (-)-Thymoquinol 2-O-beta-glucopyranoside
CAS RN 95645-52-6
Standard InChI InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1
Standard InChI (Main Layer) InChI=1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3

Cluster

Phytochemical cluster No. 72
KCF-S cluster No. 45

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Origanum svriacum 39174 Lamiaceae asterids Viridiplantae