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CHEBI:69219 - fatsicarpain D

ChEBI IDCHEBI:69219
ChEBI Namefatsicarpain D
Stars
DefinitionA pentacyclic triterpenoid that is oleana-9(11),12-diene substituted by an α-hydroxy group at position 3 and a carboxy group at position 28. Isolated from the leaves and twigs of Fatsia polycarpa, it exhibits anti-HBV activity.
Last Modified2 December 2013
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILES[H][C@@]12CC(C)(C)CC[C@]1(C(=O)O)CC[C@]1(C)C2=CC=C2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@]21C
InChIInChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8-9,20-21,23,31H,10-18H2,1-7H3,(H,32,33)/t20-,21-,23+,27-,28+,29+,30-/m0/s1
InChIKeyKICUTMUDQMLBSF-DDJNVBRHSA-N
Species of MetaboliteComponentSourceComments
Fatsia polycarpa (ncbitaxon:230586)
twig (BTO:0001411) PubMed (21766884) Methylene dichloride soluble fraction of MeOH extract of air-dried and powdered leaves and twigs
leaf (BTO:0000713) 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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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 D (CHEBI:69219) has parent hydride oleanane (CHEBI:36481)
fatsicarpain D (CHEBI:69219) has role anti-HBV agent (CHEBI:64951)
fatsicarpain D (CHEBI:69219) has role metabolite (CHEBI:25212)
fatsicarpain D (CHEBI:69219) has role plant metabolite (CHEBI:76924)
fatsicarpain D (CHEBI:69219) is a hydroxy monocarboxylic acid (CHEBI:35868)
fatsicarpain D (CHEBI:69219) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
(3α)-3-hydroxyoleana-9(11),12-dien-28-oic acid
Registry NumbersSources
Reaxys:21876584Reaxys
Citations