PCIDB

KNApSAcK Metabolite C00000134

Metabolite

KNApSAcK Entry

id C00000134
Name (s)-(+)-Abscisic acid / 2,4-Pentadienoic acid
CAS RN 21293-29-8
Standard InChI InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1
Standard InChI (Main Layer) InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 1435

Link

ChEMBL

By standard InChI CHEMBL288040
By standard InChI Main Layer CHEMBL288040 CHEMBL379808 CHEMBL1318134 CHEMBL1469719 CHEMBL1741460 CHEMBL1965138

KEGG

By LinkDB C06082

CTD

By CAS RN D000040

Species

Summary

Plant class

class name count
rosids 10
Magnoliophyta 3
Euphyllophyta 2
Liliopsida 2
asterids 1
Viridiplantae 1
Spermatophyta 1

Family (Top 10)

family name count
Fabaceae 5
Lauraceae 3
Pleosporaceae 3
Mycosphaerellaceae 2
Poaceae 2
Bovidae 2
Ceratocystidaceae 1
Lygodiaceae 1
Pinaceae 1
Muridae 1

List (36)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Alternaria alternata 5599 Pleosporaceae Fungi
Alternaria brassicae 29911 Pleosporaceae Fungi
Arabidopsis thaliana 3702 Brassicaceae rosids Viridiplantae
Ascophyllum nodosum 52969 Fucaceae Eukaryota
Bos taurus 9913 Bovidae Metazoa
Botryotinia fuckeliana 40559 Sclerotiniaceae Fungi
Ceratocystis coerulescens 94787 Ceratocystidaceae Fungi
Cercospora cruenta 179343 Mycosphaerellaceae Fungi
Cercospora pini-densiflorae 858812 Mycosphaerellaceae Fungi
Cercospora rosicola
Cinnamomum subavenium MIQ. 977953 Lauraceae Magnoliophyta Viridiplantae
Curvularia lunata 5503 Pleosporaceae Fungi
Dunaliella parva 3048 Dunaliellaceae Viridiplantae Viridiplantae
Equisetum arvense 3258 Equisetaceae Euphyllophyta Viridiplantae
Gossypium hirsutum 3635 Malvaceae rosids Viridiplantae
Lupinus luteus 3873 Fabaceae rosids Viridiplantae
Lycopersicon esculentum 4081 Solanaceae asterids Viridiplantae
Lygodium japonicum 13824 Lygodiaceae Euphyllophyta Viridiplantae
Macaranga triloba 109851 Euphorbiaceae rosids Viridiplantae
Machilus zuihoensis 337466 Lauraceae Magnoliophyta Viridiplantae
Macrophoma castaneicola 108329 Fungi
Malus pumila 283210 Rosaceae rosids Viridiplantae
Nigrospora sp. PSU-F5
Ovis aries 9940 Bovidae Metazoa
Persea gratissima 3435 Lauraceae Magnoliophyta Viridiplantae
Phaseolus vulgaris 3885 Fabaceae rosids Viridiplantae
Pinus radiata 3347 Pinaceae Spermatophyta Viridiplantae
Pisum sativum 3888 Fabaceae rosids Viridiplantae
Rattus norvegicus 10116 Muridae Metazoa
Robinia pseudoacacia 35938 Fabaceae rosids Viridiplantae
Sus scrofa 9823 Suidae Metazoa
Trichormus variabilis 264691 Nostocaceae Bacteria
Triticum aestivum 4565 Poaceae Liliopsida Viridiplantae
Vicia faba 3906 Fabaceae rosids Viridiplantae
Zanthoxylum simulans 328402 Rutaceae rosids Viridiplantae
Zea mays 4577 Poaceae Liliopsida Viridiplantae

Human Protein / Gene in interaction

10 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1741460 CHEMBL1741321 (1)
1 / 0
P16473 Thyrotropin receptor Glycohormone receptor CHEMBL379808 CHEMBL1614281 (1) CHEMBL1614361 (1)
3 / 2
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1741460 CHEMBL1741325 (1)
0 / 1
P10145 Interleukin-8 Secreted protein CHEMBL379808 CHEMBL2114835 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1741460 CHEMBL1741322 (1)
0 / 0
P03372 Estrogen receptor NR3A1 CHEMBL379808 CHEMBL1794364 (1)
1 / 1
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1741460 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1741460 CHEMBL1741324 (1)
0 / 1
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL379808 CHEMBL1469719 CHEMBL1738184 (1) CHEMBL2114890 (1)
0 / 0
P10275 Androgen receptor NR3C4 CHEMBL379808 CHEMBL1794560 (1)
3 / 4

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (9)

OMIM preferred title UniProt
#300068 Androgen insensitivity syndrome; ais P10275
#312300 Androgen insensitivity, partial; pais P10275
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#615363 Estrogen resistance; estrr P03372
#603373 Hyperthyroidism, familial gestational P16473
#609152 Hyperthyroidism, nonautoimmune P16473
#275200 Hypothyroidism, congenital, nongoitrous, 1; chng1 P16473
#313200 Spinal and bulbar muscular atrophy, x-linked 1; smax1 P10275

KEGG DISEASE (10)

KEGG disease name UniProt
H00026 Endometrial Cancer P03372 (marker)
H00036 Osteosarcoma P08684 (marker)
H00024 Prostate cancer P10275 (related)
H00062 Spinal and bulbar muscular atrophy (SBMA) P10275 (related)
H00608 46,XY disorders of sex development (Disorders in androgen synthesis or action) P10275 (related)
H00609 46,XY disorders of sex development (Other) P10275 (related)
H01205 Coumarin resistance P11712 (related)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P16473 (related)
H01269 Congenital hyperthyroidism P16473 (related)
H01171 Poor drug metabolism (PM) P33261 (related)