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CHEBI:30815 - moronic acid

Default Structure
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;
Myrceugenia euosma (IPNI:165419-2) - PubMed (11678650)
Phoradendron reichenbachianum (ncbitaxon:136774) aerial part (BTO:0001658) PubMed (11488459)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
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
JP9328426Patent
LMPR0106150002LIPID MAPS
Moronic_acidWikipedia
Registry NumbersSources
Reaxys:2913336Reaxys
CAS:6713-27-5ChemIDplus
Citations