fatsicarpain C (CHEBI:69218)

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CHEBI:69218 - fatsicarpain C

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ChEBI ID	CHEBI:69218
ChEBI Name	fatsicarpain C
Stars
Definition	A pentacyclic triterpenoid that is oleana-11,13(18)-diene substituted by a α-hydroxy group at position 3, an oxo group at position 23 and a carboxy group at position 28. Isolated from the leaves and twigs of Fatsia polycarpa, it exhibits anti-HBV activity.
Last Modified	9 January 2014
Downloads	Molfile

Formula	C30H44O4
Net Charge	0
Average Mass	468.678
Monoisotopic Mass	468.32396
SMILES	[H][C@]12C=CC3=C4CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@@H](O)[C@@]1(C)C=O
InChI	InChI=1S/C30H44O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7-8,18,21-23,32H,9-17H2,1-6H3,(H,33,34)/t21-,22-,23-,26+,27+,28-,29-,30+/m1/s1
InChIKey	BICZFYRWUHELRT-KFYXPMKRSA-N

Species of Metabolite	Component	Source	Comments
Fatsia polycarpa (ncbitaxon:230586)
	leaf (BTO:0000713)	PubMed (21766884)	Methylene dichloride soluble fraction of MeOH extract of air-dried and powdered leaves and twigs
	twig (BTO:0001411)	PubMed (21766884)	Methylene dichloride soluble fraction of MeOH extract of air-dried and powdered leaves and twigs

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. anti-HBV agent An antiviral agent that destroys or inhibits the replication of the hepatitis B virus. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	fatsicarpain C (CHEBI:69218) has parent hydride oleanane (CHEBI:36481)
	fatsicarpain C (CHEBI:69218) has role anti-HBV agent (CHEBI:64951)
	fatsicarpain C (CHEBI:69218) has role antibacterial agent (CHEBI:33282)
	fatsicarpain C (CHEBI:69218) has role plant metabolite (CHEBI:76924)
	fatsicarpain C (CHEBI:69218) is a aldehyde (CHEBI:17478)
	fatsicarpain C (CHEBI:69218) is a hydroxy monocarboxylic acid (CHEBI:35868)
	fatsicarpain C (CHEBI:69218) is a pentacyclic triterpenoid (CHEBI:25872)

IUPAC Name
(3α)-3-hydroxy-23-oxooleana-11,13(18)-dien-28-oic acid

Synonym	Source
23-formyl-3α-hydroxyolean-11,13(18)-dien-28-oic acid	ChEBI

Registry Numbers	Sources
Reaxys:21876587	Reaxys

Citations