PCIDB

KNApSAcK Metabolite C00029946

Index

Metabolite

Species

Human Protein
/ Gene in interactions

Related Diseases

Metabolite

KNApSAcK Entry

id	C00029946
Name	Momordin IIb / Silphioside G / Chikusetsusaponin IVa / Oleanolic acid 3-O-[beta-D-glucuronopyranosyl]-28-O-bet.-D-glucopyranoside
CAS RN	51415-02-2
Standard InChI	InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,39-,40+,41+,42-/m0/s1
Standard InChI (Main Layer)	InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)

Cluster

Phytochemical cluster	No. 51
KCF-S cluster	No. 9

Link

ChEMBL

By standard InChI	CHEMBL1095348
By standard InChI Main Layer	CHEMBL1095348 CHEMBL1725204

KEGG

By LinkDB

CTD

By CAS RN	C098580

Species

Summary

Plant class

class name	count
eudicotyledons	3
asterids	1

Family

family name	count
Amaranthaceae	2
Basellaceae	1
Rubiaceae	1

List (4)

* NCBI

KNApSAcK organism	*ID	*family	*plant class	*kingdom
Achyranthes fauriei	169205	Amaranthaceae	eudicotyledons	Viridiplantae
Basella rubra L.	3588	Basellaceae	eudicotyledons	Viridiplantae
Chenopodium quinoa Wild.	3558	Amaranthaceae	eudicotyledons	Viridiplantae
Galium rivale	715712	Rubiaceae	asterids	Viridiplantae

Human Protein / Gene in interaction

8 ChEMBL Protein in interactions

accession	description	class description	compound	assay ID (# of activities)	# of diseases (OMIM / KEGG)
Q99700	Ataxin-2	Unclassified protein	CHEMBL1725204	CHEMBL2114784 (1)	1 / 1
P11473	Vitamin D3 receptor	NR1I1	CHEMBL1725204	CHEMBL1794311 (1)	2 / 3
P84022	Mothers against decapentaplegic homolog 3	Unclassified protein	CHEMBL1725204	CHEMBL1794584 (1)	2 / 0
O75496	Geminin	Unclassified protein	CHEMBL1725204	CHEMBL2114843 (1)	0 / 0
Q9Y253	DNA polymerase eta	Enzyme	CHEMBL1725204	CHEMBL1794569 (1)	1 / 1
P83916	Chromobox protein homolog 1	Unclassified protein	CHEMBL1725204	CHEMBL1794401 (1)	0 / 0
Q96QE3	ATPase family AAA domain-containing protein 5	Unclassified protein	CHEMBL1725204	CHEMBL1738588 (1)	0 / 0
O94925	Glutaminase kidney isoform, mitochondrial	Enzyme	CHEMBL1725204	CHEMBL2114738 (1)	0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (6)

OMIM	preferred title	UniProt
#114500	Colorectal cancer; crc	P84022
#613795	Loeys-dietz syndrome, type 3; lds3	P84022
#607948	Mycobacterium tuberculosis, susceptibility to	P11473
#183090	Spinocerebellar ataxia 2; sca2	Q99700
#277440	Vitamin d-dependent rickets, type 2a; vddr2a	P11473
#278750	Xeroderma pigmentosum, variant type; xpv	Q9Y253

KEGG DISEASE (5)

KEGG	disease name	UniProt
H00342	Tuberculosis	P11473 (related)
H00784	Localized autosomal recessive hypotrichosis	P11473 (related)
H01143	Vitamin D-dependent rickets	P11473 (related)
H00063	Spinocerebellar ataxia (SCA)	Q99700 (related)
H00403	Disorders of nucleotide excision repair	Q9Y253 (related)