akebia saponin D (CHEBI:194124)

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CHEBI:194124 - akebia saponin D

ChEBI ID	CHEBI:194124
ChEBI Name	akebia saponin D
Stars
Definition	A triterpenoid saponin that is hederagenin attached to a α-L-arabinopyranosyl residue at position 3 via a glycosidic linkage and a 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl residue at position 28 via an ester linkage. It is the active ingredient found in the traditional Chinese herb Radix Dipsaci.
Last Modified	13 January 2023
Submitter	mwilliams
Downloads	Molfile

Formula	C47H76O18
Net Charge	0
Average Mass	929.107
Monoisotopic Mass	928.50317
SMILES	[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CO
InChI	InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-40-37(58)34(55)32(53)26(63-40)20-61-38-36(57)33(54)31(52)25(18-48)62-38)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(64-39-35(56)30(51)24(50)19-60-39)44(4,21-49)27(43)9-12-46(28,45)6/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1
InChIKey	CCRXMHCQWYVXTE-HMRSNRLKSA-N

Species of Metabolite	Component	Source
Dipsacus asper (ncbitaxon:516548)	Root (BTO:0001188)	PubMed (19023535)
Stauntonia hexaphylla (ncbitaxon:41788)
	leaf (BTO:0000713)	PubMed (30808589)
	fruit (BTO:0000486)	PubMed (31301930)

Roles Classification

Biological Roles:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Applications:

antilipemic drug A substance used to treat hyperlipidemia (an excess of lipids in the blood).

bone density conservation agent An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.

neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders.

anti-inflammatory agent Any compound that has anti-inflammatory effects.

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	akebia saponin D (CHEBI:194124) has functional parent hederagenin (CHEBI:69579)
	akebia saponin D (CHEBI:194124) has role anti-inflammatory agent (CHEBI:67079)
	akebia saponin D (CHEBI:194124) has role antilipemic drug (CHEBI:35679)
	akebia saponin D (CHEBI:194124) has role antineoplastic agent (CHEBI:35610)
	akebia saponin D (CHEBI:194124) has role apoptosis inducer (CHEBI:68495)
	akebia saponin D (CHEBI:194124) has role bone density conservation agent (CHEBI:50646)
	akebia saponin D (CHEBI:194124) has role neuroprotective agent (CHEBI:63726)
	akebia saponin D (CHEBI:194124) has role plant metabolite (CHEBI:76924)
	akebia saponin D (CHEBI:194124) is a carboxylic ester (CHEBI:33308)
	akebia saponin D (CHEBI:194124) is a pentacyclic triterpenoid (CHEBI:25872)
	akebia saponin D (CHEBI:194124) is a trisaccharide derivative (CHEBI:63571)
	akebia saponin D (CHEBI:194124) is a triterpenoid saponin (CHEBI:61778)

IUPAC Name
1-O-[3β-(α-L-arabinopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-28-yl]-6-O-β-D-glucopyranosyl-β-D-glucopyranose

Synonyms	Source
3β-(α-L-arabinopyranosyloxy)-23-hydroxyoleana-12-ene-28-oic acid 6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl ester	ChEBI
ASA VI	ChEBI
asperosaponin VI	ChEBI
asperosaponin VI	ChEBI
hederagenin 3-O-α-L-arabinopyranosyl-28-β-D-glucopyranosyl(1→6)-β-D-glucopyranoside	ChEBI
leiyemudanoside A	ChEBI

Registry Numbers	Sources
CAS:39524-08-8	ChemIDplus

Citations