CHEBI:132380 - cangoronin

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ChEBI Name cangoronin
ChEBI ID CHEBI:132380
Definition A pentacyclic triterpenoid with formula C30H44O5, originally isolated from the bark of Tripterygium wilfordii.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
Download Molfile XML SDF
Formula C30H44O5
Net Charge 0
Average Mass 484.668
Monoisotopic Mass 484.31887
InChI InChI=1S/C30H44O5/c1-18-23(33)19(32)15-21-27(4)12-14-29(6)22-16-26(3,24(34)35)10-9-25(22,2)11-13-28(29,5)20(27)7-8-30(18,21)17-31/h17,20-22,33H,7-16H2,1-6H3,(H,34,35)/t20-,21-,22+,25+,26+,27+,28+,29-,30-/m0/s1
InChIKey CDOKUYLTAYCBST-XBBQATOGSA-N
SMILES O=C[C@@]12[C@]([C@]3([C@@]([C@@]4([C@@](CC3)([C@@]5(C[C@@](CC[C@@]5(CC4)C)(C(O)=O)C)[H])C)C)(CC1)[H])C)(CC(=O)C(O)=C2C)[H]
Metabolite of Species Details
Tripterygium wilfordii (NCBI:txid458696) Found in bark (BTO:0001301). 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cangoronin (CHEBI:132380) has parent hydride friedelane (CHEBI:71575)
cangoronin (CHEBI:132380) has role plant metabolite (CHEBI:76924)
cangoronin (CHEBI:132380) is a aliphatic aldehyde (CHEBI:59768)
cangoronin (CHEBI:132380) is a cyclic terpene ketone (CHEBI:36130)
cangoronin (CHEBI:132380) is a enol (CHEBI:33823)
cangoronin (CHEBI:132380) is a enone (CHEBI:51689)
cangoronin (CHEBI:132380) is a hydroxy monocarboxylic acid (CHEBI:35868)
cangoronin (CHEBI:132380) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
(2R,4aS,6aR,6bS,8aR,12aS,12bR,14aS,14bR)-8a-formyl-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,13,14,14a,14b-icosahydropicene-2-carboxylic acid
Synonym Source
Cangoronine KNApSAcK
Manual Xrefs Databases
9869964 PubChem
C00036873 KNApSAcK
View more database links
Registry Numbers Types Sources
138884-84-1 CAS Registry Number KNApSAcK
4891672 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10993235 PubMed citation Europe PMC
18996177 PubMed citation Europe PMC
338605 Chinese Abstracts citation Europe PMC
Last Modified
26 October 2016