PCIDB

KNApSAcK Metabolite C00000125

Metabolite

KNApSAcK Entry

id C00000125
Name Glucobrassicin / Glucobrassicine / 3-Indolylmethylglucosinolate
CAS RN 4356-52-9
Standard InChI InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/b18-12-/t11?,13-,14+,15?,16+/m1/s1
Standard InChI (Main Layer) InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)

Cluster

Phytochemical cluster No. 77
KCF-S cluster No. 158

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C05837

CTD

By CAS RN C048308

Species

Summary

Plant class

class name count
rosids 47

Family

family name count
Brassicaceae 25
Cleomaceae 11
Resedaceae 7
Capparaceae 2
Bataceae 1
Tovariaceae 1

List (47)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Arabidopsis thaliana 3702 Brassicaceae rosids Viridiplantae
Armoracia lapathifolia 3704 Brassicaceae rosids Viridiplantae
Barbarea vulgaris 50459 Brassicaceae rosids Viridiplantae
Batis maritima 4436 Bataceae rosids Viridiplantae
Brassica campestris ssp. rapifera 51350 Brassicaceae rosids Viridiplantae
Brassica juncea 3707 Brassicaceae rosids Viridiplantae
Brassica napus 3708 Brassicaceae rosids Viridiplantae
Brassica napus var. napobrassica 3709 Brassicaceae rosids Viridiplantae
Brassica oleracea 3712 Brassicaceae rosids Viridiplantae
Brassica oleracea L. var. botrytis subvar. Cauliflora DC 3705 Brassicaceae rosids Viridiplantae
Brassica oleracea var. botrytis 3715 Brassicaceae rosids Viridiplantae
Brassica oleracea var. capitata 3716 Brassicaceae rosids Viridiplantae
Brassica oleracea var. gemmifera 178616 Brassicaceae rosids Viridiplantae
Brassica oleracea var. gongylodes 109379 Brassicaceae rosids Viridiplantae
Brassica rapa 3711 Brassicaceae rosids Viridiplantae
Brassica sprouts 3705 Brassicaceae rosids Viridiplantae
Capparis ovata 13394 Capparaceae rosids Viridiplantae
Capparis spinosa 65558 Capparaceae rosids Viridiplantae
Cleome anomala 310220 Cleomaceae rosids Viridiplantae
Cleome graveolens 25782 Cleomaceae rosids Viridiplantae
Cleome monophylla 202654 Cleomaceae rosids Viridiplantae
Cleome trachysperma 25782 Cleomaceae rosids Viridiplantae
Conringia orientalis 228876 Brassicaceae rosids Viridiplantae
Diplotaxis erucoides 3732 Brassicaceae rosids Viridiplantae
Gynandropsis adenocarpa 301454 Cleomaceae rosids Viridiplantae
Gynandropsis grandiflora 301454 Cleomaceae rosids Viridiplantae
Gynandropsis gynandra 190802 Cleomaceae rosids Viridiplantae
Gynandropsis macrophylla 301454 Cleomaceae rosids Viridiplantae
Gynandropsis pentaphylla 301454 Cleomaceae rosids Viridiplantae
Gynandropsis speciosa 301454 Cleomaceae rosids Viridiplantae
Gynandropsis trichopus 301454 Cleomaceae rosids Viridiplantae
Isatis djurdjura 161755 Brassicaceae rosids Viridiplantae
Isatis tinctoria 161756 Brassicaceae rosids Viridiplantae
Lepidium graminifolium 200330 Brassicaceae rosids Viridiplantae
Lepidium montanum 153349 Brassicaceae rosids Viridiplantae
Lepidium sativum 33125 Brassicaceae rosids Viridiplantae
Moricandia arvensis 180540 Brassicaceae rosids Viridiplantae
Raphanus sativus 3726 Brassicaceae rosids Viridiplantae
Reseda alba 28546 Resedaceae rosids Viridiplantae
Reseda complicata 415793 Resedaceae rosids Viridiplantae
Reseda crystallina 630722 Resedaceae rosids Viridiplantae
Reseda lutea 202615 Resedaceae rosids Viridiplantae
Reseda luteola 415813 Resedaceae rosids Viridiplantae
Reseda media 415814 Resedaceae rosids Viridiplantae
Reseda odorata 415819 Resedaceae rosids Viridiplantae
Sinapis alba 3728 Brassicaceae rosids Viridiplantae
Tovaria pendula 28547 Tovariaceae rosids Viridiplantae

Human Protein / Gene in interaction

CTD interaction (4)

compound gene gene name gene description interaction interaction type form reference
pmid
C048308 2877 GPX2
GI-GPx
GPRP
GPRP-2
GPx-2
GPx-GI
GSHPX-GI
GSHPx-2
glutathione peroxidase 2 (gastrointestinal) (EC:1.11.1.9) glucobrassicin analog inhibits the reaction [glucoraphanin analog results in increased expression of GPX2 mRNA] decreases reaction
/ increases expression
mRNA 20868228
C048308 2877 GPX2
GI-GPx
GPRP
GPRP-2
GPx-2
GPx-GI
GSHPX-GI
GSHPx-2
glutathione peroxidase 2 (gastrointestinal) (EC:1.11.1.9) glucobrassicin analog results in decreased expression of GPX2 protein decreases expression
protein 20868228
C048308 1728 NQO1
DHQU
DIA4
DTD
NMOR1
NMORI
QR1
NAD(P)H dehydrogenase, quinone 1 (EC:1.6.5.2) glucobrassicin analog inhibits the reaction [glucoraphanin results in increased activity of NQO1 protein] decreases reaction
/ increases activity
protein 20868228
C048308 1728 NQO1
DHQU
DIA4
DTD
NMOR1
NMORI
QR1
NAD(P)H dehydrogenase, quinone 1 (EC:1.6.5.2) glucobrassicin analog results in decreased activity of NQO1 protein decreases activity
protein 20868228