PCIDB

KNApSAcK Metabolite C00003036

Index

Metabolite

Species

Human Protein
/ Gene in interactions

Related Diseases

Metabolite

KNApSAcK Entry

id	C00003036
Name	Neral / Citral Z
CAS RN	106-26-3
Standard InChI	InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-
Standard InChI (Main Layer)	InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3

Cluster

Phytochemical cluster	No. 34
KCF-S cluster	No. 1575

Link

ChEMBL

By standard InChI
By standard InChI Main Layer	CHEMBL1080997

KEGG

By LinkDB	C09847

CTD

By CAS RN

Species

Summary

Plant class

class name	count
asterids	3
Liliopsida	3
Magnoliophyta	3
rosids	2
eudicotyledons	1

Family

family name	count
Lauraceae	2
Poaceae	2
Rutaceae	2
Verbenaceae	1
Zingiberaceae	1
Lamiaceae	1
Crassulaceae	1
Piperaceae	1
Asteraceae	1

List (12)

* NCBI

KNApSAcK organism	*ID	*family	*plant class	*kingdom
Citrus limon	2708	Rutaceae	rosids	Viridiplantae
Citrus sinensis	2711	Rutaceae	rosids	Viridiplantae
Conyza newii	41552	Asteraceae	asterids	Viridiplantae
Cymbopogon citratus	66014	Poaceae	Liliopsida	Viridiplantae
Cymbopogon flexuosus	79835	Poaceae	Liliopsida	Viridiplantae
Dracocephalum kotschyi	180015	Lamiaceae	asterids	Viridiplantae
Litsea cubeba	155299	Lauraceae	Magnoliophyta	Viridiplantae
Litsea verbena	22042	Lauraceae	Magnoliophyta	Viridiplantae
Piper fimbriulatum	425151	Piperaceae	Magnoliophyta	Viridiplantae
Rhodiola rosea L.	203015	Crassulaceae	eudicotyledons	Viridiplantae
Verbena triphylla	22002	Verbenaceae	asterids	Viridiplantae
Zingiber officinale	94328	Zingiberaceae	Liliopsida	Viridiplantae

Human Protein / Gene in interaction

6 ChEMBL Protein in interactions

accession	description	class description	compound	assay ID (# of activities)	# of diseases (OMIM / KEGG)
P10828	Thyroid hormone receptor beta	NR1A2	CHEMBL1080997	CHEMBL1794399 (1)	3 / 1
P00352	Retinal dehydrogenase 1	Enzyme	CHEMBL1080997	CHEMBL1614458 (1)	0 / 0
O00519	Fatty-acid amide hydrolase 1	Enzyme	CHEMBL1080997	CHEMBL1099470 (1)	0 / 0
P10275	Androgen receptor	NR3C4	CHEMBL1080997	CHEMBL1794560 (1)	3 / 4
Q13951	Core-binding factor subunit beta	Unclassified protein	CHEMBL1080997	CHEMBL1613933 (1)	0 / 1
Q01196	Runt-related transcription factor 1	Unclassified protein	CHEMBL1080997	CHEMBL1613933 (1)	1 / 6

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (7)

OMIM	preferred title	UniProt
#300068	Androgen insensitivity syndrome; ais	P10275
#312300	Androgen insensitivity, partial; pais	P10275
#601399	Platelet disorder, familial, with associated myeloid malignancy	Q01196
#313200	Spinal and bulbar muscular atrophy, x-linked 1; smax1	P10275
#188570	Thyroid hormone resistance, generalized, autosomal dominant; grth	P10828
#274300	Thyroid hormone resistance, generalized, autosomal recessive; grth	P10828
#145650	Thyroid hormone resistance, selective pituitary; prth	P10828

KEGG DISEASE (9)

KEGG	disease name	UniProt
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)
H00249	Thyroid hormone resistance syndrome	P10828 (related)
H00001	Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia)	Q01196 (related) Q01196 (marker)
H00003	Acute myeloid leukemia (AML)	Q01196 (related) Q01196 (marker) Q13951 (marker)
H00004	Chronic myeloid leukemia (CML)	Q01196 (related)
H00978	Thrombocytopenia (THC)	Q01196 (related)