PCIDB

KNApSAcK Metabolite C00003883

Metabolite

KNApSAcK Entry

id C00003883
Name Gardenin B / Demethyltangeretin / 5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS RN 2798-20-1
Standard InChI InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-9,21H,1-4H3
Standard InChI (Main Layer) InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-9,21H,1-4H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 8

Link

ChEMBL

By standard InChI CHEMBL226512
By standard InChI Main Layer CHEMBL226512

KEGG

By LinkDB C15109

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 22
rosids 4
eudicotyledons 1

Family

family name count
Lamiaceae 17
Asteraceae 3
Rosaceae 1
Fabaceae 1
Biebersteiniaceae 1
Tamaricaceae 1
Bignoniaceae 1
Rutaceae 1
Rubiaceae 1

List (27)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Baccharis grisebachii 41487 Asteraceae asterids Viridiplantae
Biebersteinia orphanidis 74351 Biebersteiniaceae rosids Viridiplantae
Brickellia squarrosa 102753 Asteraceae asterids Viridiplantae
Citrus jambhiri 64884 Rutaceae rosids Viridiplantae
Cunila angustifolia 392618 Lamiaceae asterids Viridiplantae
Cunila fasciculata 392618 Lamiaceae asterids Viridiplantae
Gardenia lucida 43486 Rubiaceae asterids Viridiplantae
Godmania aesculifolia 429669 Bignoniaceae asterids Viridiplantae
Hyptis tomentosa 1140079 Lamiaceae asterids Viridiplantae
Mentha piperita 34256 Lamiaceae asterids Viridiplantae
Mentha x citrata 21819 Lamiaceae asterids Viridiplantae
Mentha x piperita 34256 Lamiaceae asterids Viridiplantae
Nepeta transcaucasica 39172 Lamiaceae asterids Viridiplantae
Ocimum americanum L.var.pilosum (Willd.) Paton 39173 Lamiaceae asterids Viridiplantae
Ocimum basilicum L. 39350 Lamiaceae asterids Viridiplantae
Ocimum kilimandscharicum L. 39173 Lamiaceae asterids Viridiplantae
Ocimum minimum L. 39173 Lamiaceae asterids Viridiplantae
Ocimum selloi Benth. 204218 Lamiaceae asterids Viridiplantae
Ocimum spp. 39173 Lamiaceae asterids Viridiplantae
Ocimum tenuiflorum L. 204149 Lamiaceae asterids Viridiplantae
Ocimum x citriodorum Vis. 204098 Lamiaceae asterids Viridiplantae
Ononis natrix 200954 Fabaceae rosids Viridiplantae
Psiadia punctulata 72969 Asteraceae asterids Viridiplantae
Rosa centifolia 396733 Rosaceae rosids Viridiplantae
Satureja montana 49988 Lamiaceae asterids Viridiplantae
Sideritis jahandiezii 155231 Lamiaceae asterids Viridiplantae
Tamarix dioica 63084 Tamaricaceae eudicotyledons Viridiplantae

Human Protein / Gene in interaction

7 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q99700 Ataxin-2 Unclassified protein CHEMBL226512 CHEMBL2114784 (1)
1 / 1
P15559 NAD(P)H dehydrogenase [quinone] 1 Enzyme CHEMBL226512 CHEMBL1004305 (1)
0 / 0
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL226512 CHEMBL1614458 (1) CHEMBL1738585 (1)
0 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL226512 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL226512 CHEMBL2114780 (1)
0 / 0
P63092 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short Other membrane protein CHEMBL226512 CHEMBL2114810 (1)
7 / 3
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL226512 CHEMBL1613808 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (10)

OMIM preferred title UniProt
#219080 Acth-independent macronodular adrenal hyperplasia; aimah P63092
#114500 Colorectal cancer; crc P84022
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#174800 Mccune-albright syndrome; mas P63092
#166350 Osseous heteroplasia, progressive; poh P63092
#102200 Pituitary adenoma, growth hormone-secreting P63092
#103580 Pseudohypoparathyroidism, type ia; php1a P63092
#603233 Pseudohypoparathyroidism, type ib; php1b P63092
#612462 Pseudohypoparathyroidism, type ic; php1c P63092
#183090 Spinocerebellar ataxia 2; sca2 Q99700

KEGG DISEASE (4)

KEGG disease name UniProt
H00244 Pseudohypoparathyroidism P63092 (related)
H00441 Progressive osseous heteroplasia (POH) P63092 (related)
H00501 Fibrous dysplasia, polyostotic P63092 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)