CHEBI:66094 - isoiguesterin

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ChEBI Name isoiguesterin
ChEBI ID CHEBI:66094
Definition A pentacyclic triterpenoid that is a bisnortriterpene isolated from Salacia madagascariensis and exhibits antileishmanial and antileukemic activities.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H36O2
Net Charge 0
Average Mass 404.58420
Monoisotopic Mass 404.27153
InChI InChI=1S/C28H36O2/c1-17-9-10-25(3)11-13-27(5)22-8-7-19-18(2)24(30)21(29)16-20(19)26(22,4)12-14-28(27,6)23(25)15-17/h7-8,16,23,30H,1,9-15H2,2-6H3/t23?,25-,26+,27-,28+/m1/s1
InChIKey RUVGAOXZLPFVKY-VAPXRUTMSA-N
SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)C3CC(=C)CC[C@]3(C)CC[C@]12C
Metabolite of Species Details
Salacia madagascariensis (NCBI:txid670374) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): antileishmanial agent
An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antileishmanial agent
An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isoiguesterin (CHEBI:66094) has role antileishmanial agent (CHEBI:70868)
isoiguesterin (CHEBI:66094) has role antineoplastic agent (CHEBI:35610)
isoiguesterin (CHEBI:66094) has role metabolite (CHEBI:25212)
isoiguesterin (CHEBI:66094) is a enol (CHEBI:33823)
isoiguesterin (CHEBI:66094) is a enone (CHEBI:51689)
isoiguesterin (CHEBI:66094) is a pentacyclic triterpenoid (CHEBI:25872)
isoiguesterin (CHEBI:66094) is a quinomethanes (CHEBI:52404)
IUPAC Name
(6bS,8aR,12bS,14aR)-3-hydroxy-4,6b,8a,12b,14a-pentamethyl-11-methylidene-7,8,8a,9,10,11,12,12a,12b,13,14,14a-dodecahydropicen-2(6bH)-one
Registry Number Type Source
7662234 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15730255 PubMed citation Europe PMC
7288445 PubMed citation Europe PMC
Last Modified
04 March 2013