PCIDB

KNApSAcK Metabolite C00031849

Index

Metabolite

Species

Human Protein
/ Gene in interactions

Related Diseases

Metabolite

KNApSAcK Entry

id	C00031849
Name	Saponin PK / Saponin K12 / Tauroside H2 / Hederoside H1 / Koronaroside B / Hederasaponin C / Tauroside St-H2 / Pericarsaponin Pk / Kizuta saponin K12 / Kalopanaxsaponin B / Pulsatilla saponin F
CAS RN	14216-03-6
Standard InChI	InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(20-60)80-48(45(74)41(46)70)77-22-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(3,4)19-27(59)26-9-10-32-55(5)13-12-33(56(6,23-61)31(55)11-14-58(32,8)57(26,7)16-18-59)82-52-47(36(65)28(62)21-76-52)84-50-43(72)39(68)35(64)25(2)79-50/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24-,25-,27-,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,55-,56-,57-,58-,59-/m0/s1
Standard InChI (Main Layer)	InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(20-60)80-48(45(74)41(46)70)77-22-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(3,4)19-27(59)26-9-10-32-55(5)13-12-33(56(6,23-61)31(55)11-14-58(32,8)57(26,7)16-18-59)82-52-47(36(65)28(62)21-76-52)84-50-43(72)39(68)35(64)25(2)79-50/h9,24-25,27-52,60-74H,10-23H2,1-8H3

Cluster

Phytochemical cluster	No. 51
KCF-S cluster	No. 4

Link

ChEMBL

By standard InChI
By standard InChI Main Layer	CHEMBL451591 CHEMBL1171449 CHEMBL1873826 CHEMBL1910840

KEGG

By LinkDB

CTD

By CAS RN	C064714

Species

Summary

Plant class

class name	count
rosids	1
asterids	1
eudicotyledons	1

Family

family name	count
Fabaceae	1
Araliaceae	1
Ranunculaceae	1

List (3)

* NCBI

KNApSAcK organism	*ID	*family	*plant class	*kingdom
Clematis tibetana KUNTZ	3452	Ranunculaceae	eudicotyledons	Viridiplantae
Hedera pastuchowii	85359	Araliaceae	asterids	Viridiplantae
Oxytropis myriophylla	20802	Fabaceae	rosids	Viridiplantae

Human Protein / Gene in interaction

5 ChEMBL Protein in interactions

accession	description	class description	compound	assay ID (# of activities)	# of diseases (OMIM / KEGG)
P35354	Prostaglandin G/H synthase 2	Oxidoreductase	CHEMBL1171449	CHEMBL1177375 (1)	0 / 3
P23219	Prostaglandin G/H synthase 1	Oxidoreductase	CHEMBL1171449	CHEMBL1177376 (1)	0 / 0
O75496	Geminin	Unclassified protein	CHEMBL1873826	CHEMBL2114780 (1)	0 / 0
P63092	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	Other membrane protein	CHEMBL1873826	CHEMBL2114817 (1)	7 / 3
P83916	Chromobox protein homolog 1	Unclassified protein	CHEMBL1873826	CHEMBL1794401 (1)	0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (7)

OMIM	preferred title	UniProt
#219080	Acth-independent macronodular adrenal hyperplasia; aimah	P63092
#174800	Mccune-albright syndrome; mas	P63092
#166350	Osseous heteroplasia, progressive; poh	P63092
#102200	Pituitary adenoma, growth hormone-secreting	P63092
#103580	Pseudohypoparathyroidism, type ia; php1a	P63092
#603233	Pseudohypoparathyroidism, type ib; php1b	P63092
#612462	Pseudohypoparathyroidism, type ic; php1c	P63092

KEGG DISEASE (6)

KEGG	disease name	UniProt
H00017	Esophageal cancer	P35354 (related)
H00025	Penile cancer	P35354 (related)
H00046	Cholangiocarcinoma	P35354 (related)
H00244	Pseudohypoparathyroidism	P63092 (related)
H00441	Progressive osseous heteroplasia (POH)	P63092 (related)
H00501	Fibrous dysplasia, polyostotic	P63092 (related)