PCIDB

KNApSAcK Metabolite C00003654

Index

Metabolite

Species

Human Protein
/ Gene in interactions

Related Diseases

Metabolite

KNApSAcK Entry

id	C00003654
Name	Ecdysterone / beta-Ecdysterone / 20-Hydroxyecdysone
CAS RN	5289-74-7
Standard InChI	InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
Standard InChI (Main Layer)	InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3

Cluster

Phytochemical cluster	No. 11
KCF-S cluster	No. 58

Link

ChEMBL

By standard InChI	CHEMBL224128
By standard InChI Main Layer	CHEMBL224128 CHEMBL490151 CHEMBL477132 CHEMBL1707235 CHEMBL2087148 CHEMBL2087156 CHEMBL2087157 CHEMBL2354392

KEGG

By LinkDB	C02633

CTD

By CAS RN	D004441

Species

Summary

Plant class

class name	count
eudicotyledons	3
Spermatophyta	3
Euphyllophyta	2
asterids	2

Family

family name	count
Taxaceae	3
Caryophyllaceae	1
Dryopteridaceae	1
Lamiaceae	1
Polypodiaceae	1
Amaranthaceae	1
Menispermaceae	1
Asteraceae	1

List (11)

* NCBI

KNApSAcK organism	*ID	*family	*plant class	*kingdom
Ajuga turkestanica	38595	Lamiaceae	asterids	Viridiplantae
Bolbitis subcordata	872462	Dryopteridaceae	Euphyllophyta	Viridiplantae
Diploclisia glaucescens	152357	Menispermaceae	eudicotyledons	Viridiplantae
Gomphrena celosioides	217251	Amaranthaceae	eudicotyledons	Viridiplantae
Plenasium banksiaefolium
Polypodium virginianum	872808	Polypodiaceae	Euphyllophyta	Viridiplantae
Serratula inermis	41634	Asteraceae	asterids	Viridiplantae
Silene scabrifolia	3573	Caryophyllaceae	eudicotyledons	Viridiplantae
Taxus baccata	25629	Taxaceae	Spermatophyta	Viridiplantae
Taxus chinensis	29808	Taxaceae	Spermatophyta	Viridiplantae
Taxus cuspidata	99806	Taxaceae	Spermatophyta	Viridiplantae

Human Protein / Gene in interaction

6 ChEMBL Protein in interactions

accession	description	class description	compound	assay ID (# of activities)	# of diseases (OMIM / KEGG)
P08183	Multidrug resistance protein 1	drug	CHEMBL224128 CHEMBL2087148 CHEMBL2087156 CHEMBL2087157	CHEMBL2091088 (4) CHEMBL2091092 (1) CHEMBL2091093 (3) CHEMBL2091095 (1) CHEMBL2091096 (3) CHEMBL2091098 (1) CHEMBL2091099 (3)	1 / 0
O75496	Geminin	Unclassified protein	CHEMBL224128 CHEMBL1707235	CHEMBL2114780 (2)	0 / 0
Q96QE3	ATPase family AAA domain-containing protein 5	Unclassified protein	CHEMBL1707235	CHEMBL1738588 (1)	0 / 0
Q9UNA4	DNA polymerase iota	Enzyme	CHEMBL224128 CHEMBL1707235	CHEMBL1794483 (2)	0 / 0
O00167	Eyes absent homolog 2	Enzyme	CHEMBL224128	CHEMBL1614315 (1) CHEMBL1794428 (1)	0 / 0
Q13148	TAR DNA-binding protein 43	Unclassified protein	CHEMBL2354392	CHEMBL2354287 (1)	1 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM	preferred title	UniProt
#612069	Amyotrophic lateral sclerosis 10, with or without frontotemporal dementia; als10	Q13148
#612244	Inflammatory bowel disease 13; ibd13	P08183

KEGG DISEASE (1)

KEGG	disease name	UniProt
H00058	Amyotrophic lateral sclerosis (ALS)	Q13148 (related)