CHEBI:70428 - Buxamine A

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ChEBI Name Buxamine A
ChEBI ID CHEBI:70428
Definition A natural product found in Buxus natalensis and Buxus papillosa.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H48N2
Net Charge 0
Average Mass 412.69410
Monoisotopic Mass 412.38175
InChI InChI=1S/C28H48N2/c1-19(29(6)7)22-15-17-28(5)24-12-11-23-20(18-21(24)14-16-27(22,28)4)10-13-25(30(8)9)26(23,2)3/h14,18-19,22-25H,10-13,15-17H2,1-9H3/t19-,22+,23+,24+,25-,27+,28-/m0/s1
InChIKey ZUILVKYUNYJWMV-JTRBZCFYSA-N
SMILES [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@]4([H])C(CC[C@H](N(C)C)C4(C)C)=CC3=CC[C@]12C)[C@H](C)N(C)C
Metabolite of Species Details
Buxus natalensis (IPNI:128681-1) Found in bark (BTO:0001301). MeOH extract of pulverized bark See: PubMed
Buxus papillosa (IPNI:128688-1) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Buxamine A (CHEBI:70428) has role metabolite (CHEBI:25212)
Buxamine A (CHEBI:70428) is a steroid alkaloid (CHEBI:26767)
Registry Number Type Source
36127-40-9 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
20954721 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:diterpenoid(CHEBI:23849); ISA:primary aliphatic amine(CHEBI:17062); ISA:tertiary amine(CHEBI:32876);