PCIDB

KNApSAcK Metabolite C00021291

Metabolite

KNApSAcK Entry

id C00021291
Name Valerenolic acid / Hydroxyvalerenic acid
CAS RN 1619-16-5
Standard InChI InChI=1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+/t8-,11+,12-,14+/m1/s1
Standard InChI (Main Layer) InChI=1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 2317

Link

ChEMBL

By standard InChI CHEMBL1565922
By standard InChI Main Layer CHEMBL1565922

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Caprifoliaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Valeriana officinalis 19953 Caprifoliaceae asterids Viridiplantae

Human Protein / Gene in interaction

4 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1565922 CHEMBL1614458 (1)
0 / 0
P04150 Glucocorticoid receptor NR3C1 CHEMBL1565922 CHEMBL1794456 (1)
0 / 1
Q96RI1 Bile acid receptor NR1H4 CHEMBL1565922 CHEMBL1794415 (1)
0 / 0
P10275 Androgen receptor NR3C4 CHEMBL1565922 CHEMBL1794560 (1)
3 / 4

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (3)

OMIM preferred title UniProt
#300068 Androgen insensitivity syndrome; ais P10275
#312300 Androgen insensitivity, partial; pais P10275
#313200 Spinal and bulbar muscular atrophy, x-linked 1; smax1 P10275

KEGG DISEASE (5)

KEGG disease name UniProt
H00599 46,XX disorders of sex development (Disorders related to androgen excess) P04150 (related)
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)