CHEBI:16957 - deacetoxyvindoline

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ChEBI Name deacetoxyvindoline
ChEBI ID CHEBI:16957
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4442, CHEBI:14098, CHEBI:14128, CHEBI:23563
Supplier Information
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Formula C23H30N2O4
Net Charge 0
Average Mass 398.496
Monoisotopic Mass 398.22056
InChI InChI=1S/C23H30N2O4/c1-5-21-9-6-11-25-12-10-22(18(21)25)16-8-7-15(28-3)13-17(16)24(2)19(22)23(27,14-21)20(26)29-4/h6-9,13,18-19,27H,5,10-12,14H2,1-4H3/t18-,19+,21-,22+,23+/m0/s1
InChIKey WNKDGPXNFMMOEJ-RNJSZURPSA-N
SMILES [C@@]123[C@@](N(C4=C1C=CC(=C4)OC)C)([C@](C[C@]5([C@@]2(N(CC=C5)CC3)[H])CC)(C(=O)OC)O)[H]
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 )
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ChEBI Ontology
Outgoing deacetoxyvindoline (CHEBI:16957) has functional parent vindoline (CHEBI:16380)
deacetoxyvindoline (CHEBI:16957) is a methyl ester (CHEBI:25248)
deacetoxyvindoline (CHEBI:16957) is a organic heteropentacyclic compound (CHEBI:38164)
deacetoxyvindoline (CHEBI:16957) is a tertiary alcohol (CHEBI:26878)
deacetoxyvindoline (CHEBI:16957) is a vinca alkaloid (CHEBI:27288)
deacetoxyvindoline (CHEBI:16957) is conjugate base of deacetoxyvindolinium(1+) (CHEBI:57965)
Incoming deacetoxyvindolinium(1+) (CHEBI:57965) is conjugate acid of deacetoxyvindoline (CHEBI:16957)
IUPAC Name
methyl 3β-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2β,5α,12β,19α-aspidospermidine-3α-carboxylate
Synonyms Sources
16-Methoxy-2,3-dihydro-3-hydroxy-N-methyltabersonine KEGG COMPOUND
Deacetoxyvindoline KEGG COMPOUND
Desacetoxyvindoline KEGG COMPOUND
Manual Xref Database
C02673 KEGG COMPOUND
View more database links
Registry Number Type Source
21650527 Reaxys Registry Number Reaxys
Last Modified
26 July 2017