17-O-deacetylvindoline (CHEBI:18362)

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CHEBI:18362 - 17-O-deacetylvindoline

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ChEBI ID	CHEBI:18362
ChEBI Name	17-O-deacetylvindoline
Stars
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.
Secondary ChEBI IDs	CHEBI:4339, CHEBI:11336, CHEBI:14129, CHEBI:19167
Last Modified	26 July 2017
Downloads	Molfile

Formula	C23H30N2O5
Net Charge	0
Average Mass	414.502
Monoisotopic Mass	414.21547
SMILES	[H][C@@]12N(C)c3cc(OC)ccc3[C@@]13CCN1CC=C[C@@](CC)([C@@H](O)[C@]2(O)C(=O)OC)[C@]13[H]
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
InChIKey	ZDKMPOJNYNVYLA-PEGGBQQISA-N

Wikipedia

Species of Metabolite	Component	Source	Comments
Catharanthus roseus (ncbitaxon:4058)	-	Article (Heterocycles, 1986, v24, 2415)

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
Incoming Relation(s)	17-O-deacetylvindolinium (CHEBI:58461) is conjugate acid of 17-O-deacetylvindoline (CHEBI:18362)

IUPAC Name
methyl 3β,4β-dihydroxy-16-methoxy-1-methyl-6,7-didehydro-2β,5α,12β,19α-aspidospermidine-3α-carboxylate

Synonyms	Source
Deacetylvindoline	KEGG COMPOUND
17-O-Deacetylvindoline	KEGG COMPOUND
Desacetylvindoline	KEGG COMPOUND
17-O-deacetylvindoline	ChEBI
methyl (2β,3β,4β,5α,12β,19α)-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate	ChEBI

Manual Xrefs	Databases
C01091	KEGG COMPOUND
C01091	KEGG COMPOUND
C00024529	KNApSAcK
Deacetylvindoline	Wikipedia

Registry Numbers	Sources
Reaxys:63743	Reaxys