CHEBI:70418 - acetyl aleuritolic acid

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ChEBI Name acetyl aleuritolic acid
ChEBI ID CHEBI:70418
Definition A pentacyclic triterpenoid isolated from the leaves of Garcia parviflora.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C32H50O4
Net Charge 0
Average Mass 498.73700
Monoisotopic Mass 498.37091
InChI InChI=1S/C32H50O4/c1-20(33)36-25-12-15-29(6)21(28(25,4)5)9-13-30(7)22(29)10-14-31(8)23(30)11-16-32(26(34)35)18-17-27(2,3)19-24(31)32/h11,21-22,24-25H,9-10,12-19H2,1-8H3,(H,34,35)/t21-,22+,24-,25-,29-,30+,31+,32+/m0/s1
InChIKey UROPGAQBZGIPQC-VUHMTIHWSA-N
SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@@]4(CC=C32)C(O)=O)C1(C)C
Metabolite of Species Details
Garcia parviflora (IPNI:107401-2) Found in leaf (BTO:0000713). n-hexane extract of air-dried, powdered branch and leaves See: PubMed
Garcia parviflora (IPNI:107401-2) Found in branch (BTO:0000148). n-hexane extract of air-dried, powdered branch and leaves See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing acetyl aleuritolic acid (CHEBI:70418) has functional parent friedelin (CHEBI:5171)
acetyl aleuritolic acid (CHEBI:70418) has role antineoplastic agent (CHEBI:35610)
acetyl aleuritolic acid (CHEBI:70418) has role plant metabolite (CHEBI:76924)
acetyl aleuritolic acid (CHEBI:70418) is a acetate ester (CHEBI:47622)
acetyl aleuritolic acid (CHEBI:70418) is a monocarboxylic acid (CHEBI:25384)
acetyl aleuritolic acid (CHEBI:70418) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
(4aS,6bR,8aR,10S,12aR,12bR,14aS,14bS)-10-(acetyloxy)-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydropicene-4a(2H)-carboxylic acid
Synonyms Sources
3β-acetoxyfriedoolean-14-ene-28-oic acid ChEBI
D-Friedoolean-14-en-28-oic acid, 3-(acetyloxy)-, (3beta)- ChemIDplus
Registry Numbers Types Sources
2825233 Reaxys Registry Number Reaxys
28937-85-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
20958014 PubMed citation Europe PMC
Last Modified
01 June 2015