PCIDB

KNApSAcK Metabolite C00018754

Index

Metabolite

Species

Human Protein
/ Gene in interactions

Related Diseases

Metabolite

KNApSAcK Entry

id	C00018754
Name	Ascochlorin / LL-Z1272gamma / 2,4-Dihydroxy-3-substituted-5-chloroorcylaldehyde
CAS RN	26166-39-2
Standard InChI	InChI=1S/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1
Standard InChI (Main Layer)	InChI=1S/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster	No. 962

Link

ChEMBL

By standard InChI	CHEMBL132623
By standard InChI Main Layer	CHEMBL132623

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name	count

Family

family name	count
Nectriaceae	3
Hypocreaceae	1

List (8)

* NCBI

KNApSAcK organism	*ID	*family	*plant class	*kingdom
Acremonium lazulae	5129	Hypocreaceae		Fungi
Acremonium luzulae	61182			Fungi
Acremonium sp.	5045			Fungi
Ascochyta viciae	5453			Fungi
Cylindrocladium iliciola
Fusarium sp.	29916	Nectriaceae		Fungi
Nectria coccinea	57153	Nectriaceae		Fungi
Nectria lucida	1053261	Nectriaceae		Fungi

Human Protein / Gene in interaction

6 ChEMBL Protein in interactions

accession	description	class description	compound	assay ID (# of activities)	# of diseases (OMIM / KEGG)
O75469	Nuclear receptor subfamily 1 group I member 2	NR1I2	CHEMBL132623	CHEMBL763227 (1)	0 / 0
Q92731	Estrogen receptor beta	NR3A2	CHEMBL132623	CHEMBL678664 (1)	0 / 1
P37231	Peroxisome proliferator-activated receptor gamma	NR1C3	CHEMBL132623	CHEMBL759457 (1)	5 / 3
P03372	Estrogen receptor	NR3A1	CHEMBL132623	CHEMBL681152 (1)	1 / 1
P10275	Androgen receptor	NR3C4	CHEMBL132623	CHEMBL649560 (1)	3 / 4
Q07869	Peroxisome proliferator-activated receptor alpha	NR1C1	CHEMBL132623	CHEMBL765407 (1)	0 / 0

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
%606641	Body mass index; bmi	P37231
#609338	Carotid intimal medial thickness 1	P37231
#615363	Estrogen resistance; estrr	P03372
#137800	Glioma susceptibility 1; glm1	P37231
#604367	Lipodystrophy, familial partial, type 3; fpld3	P37231
#601665	Obesity	P37231
#313200	Spinal and bulbar muscular atrophy, x-linked 1; smax1	P10275

KEGG DISEASE (8)

KEGG	disease name	UniProt
H00026	Endometrial Cancer	P03372 (marker) Q92731 (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)
H00032	Thyroid cancer	P37231 (related)
H00409	Type II diabetes mellitus	P37231 (related)
H00420	Familial partial lipodystrophy (FPL)	P37231 (related)