CHEBI:70501 - N(4)-demethyl-12-methoxyalstogustine

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ChEBI Name N(4)-demethyl-12-methoxyalstogustine
ChEBI ID CHEBI:70501
Definition A natural product found in Alstonia spatulata.
Stars This entity has been manually annotated by a third party.
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Formula C21H26N2O4
Net Charge 0
Average Mass 370.44210
Monoisotopic Mass 370.18926
InChI InChI=1S/C21H26N2O4/c1-11(24)13-10-23-8-7-21-14-5-4-6-15(26-2)18(14)22-19(21)17(20(25)27-3)12(13)9-16(21)23/h4-6,11-13,16,22,24H,7-10H2,1-3H3/t11-,12+,13-,16+,21-/m1/s1
InChIKey FNDWOLJMJUSGOB-DJBVCAICSA-N
SMILES [H][C@@]1(CN2CC[C@@]34C(Nc5c(OC)cccc35)=C(C(=O)OC)[C@@]1([H])C[C@]24[H])[C@@H](C)O
Metabolite of Species Details
Alstonia sp.tulata (IPNI:76595-1) Found in leaf (BTO:0000713). Extraction of leaves and stembark with concentrated EtOH with dilute acids See: PubMed
Alstonia sp.tulata (IPNI:76595-1) Found in stem (BTO:0001300). Previous component: stem bark; Extraction of leaves and stembark with concentrated EtOH with dilute acids 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 N(4)-demethyl-12-methoxyalstogustine (CHEBI:70501) has role metabolite (CHEBI:25212)
N(4)-demethyl-12-methoxyalstogustine (CHEBI:70501) is a alkaloid (CHEBI:22315)
Synonym Source
Methyl (19R,20alpha)-19-hydroxy-12-methoxy-2,16-didehydrocuran-17-oate ChEBI
Citation Waiting for Citations Type Source
21043460 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:carbazoles(CHEBI:48513); ISA:indoles(CHEBI:24828); ISA:indolizines(CHEBI:38485); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:aralkylamine(CHEBI:18000); ISA:piperidines(CHEBI:26151); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:carboxylic ester(CHEBI:33308); ISA:enoate ester(CHEBI:51702); ISA:enamine(CHEBI:47989); ISA:amino alcohol(CHEBI:22478); ISA:secondary alcohol(CHEBI:35681); ISA:tertiary amine(CHEBI:32876); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);