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CHEBI:30815 - moronic acid

ChEBI IDCHEBI:30815
ChEBI Namemoronic acid
Stars
DefinitionA pentacyclic triterpenoid that is olean-18-ene substituted at position 3 by an oxo group and position 28 by a carboxy group.
Last Modified15 August 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILES[H][C@]12CC[C@]3([H])C4=CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)C(=O)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/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,27+,28-,29-,30+/m1/s1
InChIKeyUMYJVVZWBKIXQQ-QALSDZMNSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Boronia inornata (IPNI:771630-1)
aerial part (BTO:0001658) DOI (10.1016/0031-9422(94)00567-D)
root (BTO:0001188) DOI (10.1016/0031-9422(94)00567-D)
Brucea javanica (ncbitaxon:210348) - PubMed (10086989)
Evodia meliafolia (ncbitaxon:354493) stem (BTO:0001300) Article (INDIAN J PHARM SCI, 1997, 59, 251) Previous component: stem bark;
Phoradendron reichenbachianum (ncbitaxon:136774) aerial part (BTO:0001658) PubMed (11488459)
Myrceugenia euosma (IPNI:165419-2) - PubMed (11678650)
Roles Classification
Biological Roles:
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
anti-HSV-1 agent  An anti-HSV agent agent that destroys or inhibits the replication of herpes simplex virus-1.
ChEBI Ontology
Outgoing Relation(s)
moronic acid (CHEBI:30815) has parent hydride oleanane (CHEBI:36481)
moronic acid (CHEBI:30815) has role anti-HIV agent (CHEBI:64946)
moronic acid (CHEBI:30815) has role anti-HSV-1 agent (CHEBI:64953)
moronic acid (CHEBI:30815) has role metabolite (CHEBI:25212)
moronic acid (CHEBI:30815) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
3-oxoolean-18-en-28-oic acid
Synonym  Source
(4aS,6aR,6bR,8aR,12aR,12bR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-icosahydropicene-4a-carboxylic acidIUPAC
Manual XrefsDatabases
Moronic_acidWikipedia
LMPR0106150002LIPID MAPS
JP9328426Patent
Registry NumbersSources
Reaxys:2913336Reaxys
CAS:6713-27-5ChemIDplus
Citations