CHEBI:70424 - 31-demethylbuxaminol

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ChEBI Name 31-demethylbuxaminol
ChEBI ID CHEBI:70424
Definition A natural product found in Buxus natalensis.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H46N2O
Net Charge 0
Average Mass 414.66690
Monoisotopic Mass 414.36101
InChI InChI=1S/C27H46N2O/c1-17-21-10-11-22-20(15-19(21)9-12-23(17)29(7)8)13-14-26(3)25(18(2)28(5)6)24(30)16-27(22,26)4/h13,15,17-18,21-25,30H,9-12,14,16H2,1-8H3/t17-,18+,21+,22-,23+,24-,25+,26-,27+/m1/s1
InChIKey KDKFZGZVPVIBCE-XZSYSDQVSA-N
SMILES [H][C@@]12CC[C@]3([H])C(=CC[C@]4(C)[C@]([H])([C@H](O)C[C@@]34C)[C@H](C)N(C)C)C=C1CC[C@@H]([C@@H]2C)N(C)C
Metabolite of Species Details
Buxus natalensis (IPNI:128681-1) Found in bark (BTO:0001301). MeOH extract of pulverized bark 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 31-demethylbuxaminol (CHEBI:70424) has role metabolite (CHEBI:25212)
31-demethylbuxaminol (CHEBI:70424) is a steroid alkaloid (CHEBI:26767)
Citation Waiting for Citations Type Source
20954721 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:sesquiterpenoid(CHEBI:26658); ISA:primary aliphatic amine(CHEBI:17062); ISA:secondary alcohol(CHEBI:35681); ISA:tertiary amine(CHEBI:32876); ISA:organic hydroxy compound(CHEBI:33822);