CHEBI:65817 - dysoxyhainanin A

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ChEBI Name dysoxyhainanin A
ChEBI ID CHEBI:65817
Definition A pentacyclic triterpenoid with a rearranged oleanane skeleton isolated from the whole plants of Dysoxylum hainanense. It exhibits antibacterial activity against Gram-positive bacteria.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H45NO4
Net Charge 0
Average Mass 495.69330
Monoisotopic Mass 495.33486
InChI InChI=1S/C31H45NO4/c1-26(2)22-10-11-30(6)23(31(22,7)21(24(26)34)17-32-18-33)9-8-19-20-16-28(4,25(35)36)13-12-27(20,3)14-15-29(19,30)5/h8,17-18,20,22-23H,9-16H2,1-7H3,(H,32,33)(H,35,36)/b21-17+/t20-,22-,23-,27+,28+,29+,30+,31-/m0/s1
InChIKey ZZTXYUVDEDOUDW-XYNNUCQCSA-N
SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)\C(=C/NC=O)[C@]21C)C(O)=O
Metabolite of Species Details
Dysoxylum hainanense (IPNI:578154-1) Found in whole plant (BTO:0001461). 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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dysoxyhainanin A (CHEBI:65817) has role antibacterial agent (CHEBI:33282)
dysoxyhainanin A (CHEBI:65817) has role metabolite (CHEBI:25212)
dysoxyhainanin A (CHEBI:65817) is a formamides (CHEBI:24079)
dysoxyhainanin A (CHEBI:65817) is a oxo monocarboxylic acid (CHEBI:35871)
dysoxyhainanin A (CHEBI:65817) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
(1Z,3aR,5aR,5bS,7aS,10R,11aR,13aS,13bR)-1-[(formylamino)methylidene]-3,3,5a,5b,7a,10,13b-heptamethyl-2-oxo-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-10-carboxylic acid
Registry Number Type Source
19175393 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18771268 PubMed citation Europe PMC
Last Modified
16 January 2013