CHEBI:16147 - 11-O-demethyl-17-O-deacetylvindoline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 11-O-demethyl-17-O-deacetylvindoline
ChEBI ID CHEBI:16147
ChEBI ASCII Name 11-O-demethyl-17-O-deacetylvindoline
Definition A derivative of vindoline lacking the 11-O-methyl and 17-O-acetyl substituents.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:718, CHEBI:19117, CHEBI:11309
Supplier Information
Download Molfile XML SDF
Formulae C22H28N2O5
C22H28N2O5
Net Charge 0
Average Mass 400.469
Monoisotopic Mass 400.19982
InChI InChI=1S/C22H28N2O5/c1-4-20-8-5-10-24-11-9-21(16(20)24)14-7-6-13(25)12-15(14)23(2)17(21)22(28,18(20)26)19(27)29-3/h5-8,12,16-18,25-26,28H,4,9-11H2,1-3H3/t16-,17+,18+,20+,21+,22-/m0/s1
InChIKey MNCVVTFLNVITRD-RLFCDOPRSA-N
SMILES [C@@]123[C@@](N(C4=C1C=CC(=C4)O)C)([C@]([C@@H]([C@]5([C@@]2(N(CC=C5)CC3)[H])CC)O)(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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 11-O-demethyl-17-O-deacetylvindoline (CHEBI:16147) has functional parent vindoline (CHEBI:16380)
11-O-demethyl-17-O-deacetylvindoline (CHEBI:16147) is a methyl ester (CHEBI:25248)
11-O-demethyl-17-O-deacetylvindoline (CHEBI:16147) is a secondary alcohol (CHEBI:35681)
11-O-demethyl-17-O-deacetylvindoline (CHEBI:16147) is a tertiary alcohol (CHEBI:26878)
11-O-demethyl-17-O-deacetylvindoline (CHEBI:16147) is a vinca alkaloid (CHEBI:27288)
11-O-demethyl-17-O-deacetylvindoline (CHEBI:16147) is conjugate base of 11-O-demethyl-17-O-deacetylvindolinium(1+) (CHEBI:57657)
Incoming 11-O-demethyl-17-O-deacetylvindolinium(1+) (CHEBI:57657) is conjugate acid of 11-O-demethyl-17-O-deacetylvindoline (CHEBI:16147)
IUPAC Name
methyl 3β,4β,16-trihydroxy-1-methyl-6,7-didehydro-2β,5α,12β,19α-aspidospermidine-3α-carboxylate
Synonyms Sources
11-O-demethyl-17-O-deacetylvindoline ChEBI
11-O-Demethyl-17-O-deacetylvindoline KEGG COMPOUND
Manual Xref Database
C04318 KEGG COMPOUND
View more database links
Last Modified
21 July 2017