CHEBI:30815 - moronic acid

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ChEBI Name moronic acid
ChEBI ID CHEBI:30815
Definition A pentacyclic triterpenoid that is olean-18-ene substituted at position 3 by an oxo group and position 28 by a carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C30H46O3
Net Charge 0
Average Mass 454.68444
Monoisotopic Mass 454.345
InChI InChI=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
InChIKey UMYJVVZWBKIXQQ-QALSDZMNSA-N
SMILES [H][C@]12CC[C@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CCC(C)(C)C=C21)C(O)=O
Metabolite of Species Details
Myrceugenia euosma (IPNI:165419-2) See: PubMed
Boronia inornata (IPNI:771630-1) Found in aerial part (BTO:0001658). See: DOI
Boronia inornata (IPNI:771630-1) Found in root (BTO:0001188). See: DOI
Phoradendron reichenbachianum (NCBI:136774) Found in aerial part (BTO:0001658). See: PubMed
Brucea javanica (NCBI:210348) See: PubMed
Evodia meliafolia (NCBI:354493) Found in stem (BTO:0001300). Previous component: stem bark; See: INDIAN J PHARM SCI, 1997, 59, 251
Roles Classification
Biological Role(s): anti-HSV-1 agent
An anti-HSV agent agent that destroys or inhibits the replication of herpes simplex virus-1.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 acid IUPAC
Database Links Databases
JP9328426 Patent
LMPR0106150002 LIPID MAPS
Moronic_acid Wikipedia
View more database links
Registry Numbers Types Sources
2913336 Reaxys Registry Number Reaxys
2913336 Beilstein Registry Number Beilstein
6713-27-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10086989 PubMed citation Europe PMC
11488459 PubMed citation Europe PMC
11678650 PubMed citation Europe PMC
Last Modified
15 August 2012
General Comment
2012-07-27 INDIAN J PHARM SCI, 1997, 59, 251