CHEBI:18362 - 17-O-deacetylvindoline

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ChEBI Name 17-O-deacetylvindoline
ChEBI ASCII Name 17-O-deacetylvindoline
Definition A vinca alkaloid that is vindoline in which the acetate ester group at position 17 has been hydrolysed to give the corresponding secondary alcohol.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11336, CHEBI:4339, CHEBI:14129, CHEBI:19167
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Formula C23H30N2O5
Net Charge 0
Average Mass 414.496
Monoisotopic Mass 414.21547
InChI InChI=1S/C23H30N2O5/c1-5-21-9-6-11-25-12-10-22(17(21)25)15-8-7-14(29-3)13-16(15)24(2)18(22)23(28,19(21)26)20(27)30-4/h6-9,13,17-19,26,28H,5,10-12H2,1-4H3/t17-,18+,19+,21+,22+,23-/m0/s1
SMILES [C@@]123[C@@](N(C4=C1C=CC(=C4)OC)C)([C@]([C@@H]([C@]5([C@@]2(N(CC=C5)CC3)[H])CC)O)(C(=O)OC)O)[H]
Metabolite of Species Details
Catharanthus roseus (NCBI:txid4058) See: Heterocycles, 1986, v24, 2415
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 17-O-deacetylvindoline (CHEBI:18362) has functional parent vindoline (CHEBI:16380)
17-O-deacetylvindoline (CHEBI:18362) is a methyl ester (CHEBI:25248)
17-O-deacetylvindoline (CHEBI:18362) is a organic heteropentacyclic compound (CHEBI:38164)
17-O-deacetylvindoline (CHEBI:18362) is a secondary alcohol (CHEBI:35681)
17-O-deacetylvindoline (CHEBI:18362) is a tertiary alcohol (CHEBI:26878)
17-O-deacetylvindoline (CHEBI:18362) is a vinca alkaloid (CHEBI:27288)
17-O-deacetylvindoline (CHEBI:18362) is conjugate base of 17-O-deacetylvindolinium (CHEBI:58461)
Incoming 17-O-deacetylvindolinium (CHEBI:58461) is conjugate acid of 17-O-deacetylvindoline (CHEBI:18362)
methyl 3β,4β-dihydroxy-16-methoxy-1-methyl-6,7-didehydro-2β,5α,12β,19α-aspidospermidine-3α-carboxylate
Synonyms Sources
17-O-deacetylvindoline ChEBI
17-O-Deacetylvindoline KEGG COMPOUND
Deacetylvindoline KEGG COMPOUND
Desacetylvindoline KEGG COMPOUND
methyl (2β,3β,4β,5α,12β,19α)-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate ChEBI
Manual Xrefs Databases
C00024529 KNApSAcK
Deacetylvindoline Wikipedia
View more database links
Registry Number Type Source
63743 Reaxys Registry Number Reaxys
Last Modified
26 July 2017