PCIDB

KNApSAcK Metabolite C00014159

Metabolite

KNApSAcK Entry

id C00014159
Name Agrandol / 5,7-Dihydroxy-6-methoxy-8-prenylflavanone
CAS RN 253786-74-2
Standard InChI InChI=1S/C21H22O5/c1-12(2)9-10-14-18(23)21(25-3)19(24)17-15(22)11-16(26-20(14)17)13-7-5-4-6-8-13/h4-9,16,23-24H,10-11H2,1-3H3/t16-/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H22O5/c1-12(2)9-10-14-18(23)21(25-3)19(24)17-15(22)11-16(26-20(14)17)13-7-5-4-6-8-13/h4-9,16,23-24H,10-11H2,1-3H3

Cluster

Phytochemical cluster No. 14
KCF-S cluster No. 28

Link

ChEMBL

By standard InChI CHEMBL491588
By standard InChI Main Layer CHEMBL491588

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 2

Family

family name count
Fabaceae 1
Rutaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Cedrelopsis microfoliata 864330 Rutaceae rosids Viridiplantae
Dioclea grandiflora 3837 Fabaceae rosids Viridiplantae

Human Protein / Gene in interaction

2 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q92731 Estrogen receptor beta NR3A2 CHEMBL491588 CHEMBL965153 (1)
0 / 1
P03372 Estrogen receptor NR3A1 CHEMBL491588 CHEMBL965152 (1)
1 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (1)

OMIM preferred title UniProt
#615363 Estrogen resistance; estrr P03372

KEGG DISEASE (1)

KEGG disease name UniProt
H00026 Endometrial Cancer P03372 (marker)
Q92731 (marker)