PCIDB

KNApSAcK Metabolite C00000126

Metabolite

KNApSAcK Entry

id C00000126
Name Neoglucobrassicin / 1-Methoxy-3-indolylmethylglucosinolate
CAS RN 5187-84-8
Standard InChI InChI=1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/b18-13-/t12?,14-,15+,16?,17+/m1/s1
Standard InChI (Main Layer) InChI=1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08424

CTD

By CAS RN C064701

Species

Summary

Plant class

class name count
rosids 36

Family

family name count
Brassicaceae 21
Cleomaceae 11
Capparaceae 2
Resedaceae 1
Tovariaceae 1

List (36)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Arabidopsis thaliana 3702 Brassicaceae rosids Viridiplantae
Barbarea praecox 50457 Brassicaceae rosids Viridiplantae
Barbarea vulgaris 50459 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. 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
Cochlearia officinalis 270110 Brassicaceae 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 sativum 33125 Brassicaceae rosids Viridiplantae
Moricandia arvensis 180540 Brassicaceae rosids Viridiplantae
Reseda complicata 415793 Resedaceae rosids Viridiplantae
Sinapis alba 3728 Brassicaceae rosids Viridiplantae
Sisymbrium officinale 203582 Brassicaceae rosids Viridiplantae
Tovaria pendula 28547 Tovariaceae rosids Viridiplantae

Human Protein / Gene in interaction

CTD interaction (2)

compound gene gene name gene description interaction interaction type form reference
pmid
C064701 3251 HPRT1
HGPRT
HPRT
hypoxanthine phosphoribosyltransferase 1 (EC:2.4.2.8) 1-methoxy-3-indolylmethylglucosinolate metabolite results in increased mutagenesis of HPRT1 gene increases mutagenesis
gene 20846518
C064701 6817 SULT1A1
HAST1/HAST2
P-PST
PST
ST1A1
ST1A3
STP
STP1
TSPST1
sulfotransferase family, cytosolic, 1A, phenol-preferring, member 1 (EC:2.8.2.1) SULT1A1 protein results in increased susceptibility to 1-methoxy-3-indolylmethylglucosinolate metabolite increases response to substance
protein 20846518