Compound: Deacetylvindoline
SMILES: O=C(OC)[C@@]1(O)[C@H](O)[C@@]2(C=CCN3[C@@H]2[C@@]4([C@H]1N(c5cc(OC)ccc45)C)CC3)CC
InChIKey: ZDKMPOJNYNVYLA-PEGGBQQISA-N
Synonyms: Deacetylvindoline, 3633-92-9, Desacetylvindoline, 24ETH7DXT4, NSC-91993, DTXSID401032208, Aspidospermidine-3-carboxylic acid, 6,7-didehydro-3,4-dihydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12R,19alpha)-, methyl (1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate, methyl (1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo(10.6.1.01,9.02,7.016,19)nonadeca-2(7),3,5,13-tetraene-10-carboxylate, RefChem:1077310, DTXCID401517218, Desacetyl Vindoline, 4-Desacetylvindoline, UNII-24ETH7DXT4, 17-O-Deacetylvindoline, Vindoline, deacetyl-, Aspidospermidine-3-carboxylic acid, 6,7-didehydro-3,4-dihydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12beta,19alpha)-, deacetyl vindoline, (2ss,3ss,4ss,5a,12R,19a)-6,7-Didehydro-3,4-dihydroxy-16-methoxy-1-methyl-aspidospermidine-3-carboxylic Acid Methyl Ester; 4-Desacetylvindoline; Deacetylvindoline; NSC 91993;, CHEMBL4081511, SCHEMBL26693259, SCHEMBL29419145, CHEBI:18362, ZDKMPOJNYNVYLA-PEGGBQQISA-N, methyl 3beta,4beta-dihydroxy-16-methoxy-1-methyl-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidine-3alpha-carboxylate, NSC91993, NSC814276, NSC-814276, NS00094419, C01091, Q19903931, ASPIDOSPERMIDINE-3-CARBOXYLIC ACID, 6,7-DIDEHYDRO-3,4-DIHYDROXY-16-METHOXY-1-METHYL-, METHYL ESTER, (2.BETA.,3.BETA.,4.BETA.,5.ALPHA.,12.BETA.,19.ALPHA.)-, ASPIDOSPERMIDINE-3-CARBOXYLIC ACID, 6,7-DIDEHYDRO-3,4-DIHYDROXY-16-METHOXY-1-METHYL-, METHYL ESTER, (2.BETA.,3.BETA.,4.BETA.,5.ALPHA.,12R,19.ALPHA.)-, methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
Theoretical properties:
molecular_formula: C23H30N2O5
molecular_weight: 414.5 g/mol
exact_mass: 414.21547206 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 4
heavy_atom_count: 30
topological_polar_surface_area: 82.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 17-O-deacetylvindoline is a vinca alkaloid that is vindoline in which the acetate ester group at position 17 has been hydrolysed to give the corresponding secondary alcohol. It is a methyl ester, a tertiary alcohol, a vinca alkaloid, a secondary alcohol and an organic heteropentacyclic compound. It is functionally related to a vindoline. It is a conjugate base of a 17-O-deacetylvindolinium.
chebi: A vinca alkaloid that is vindoline in which the acetate ester group at position 17 has been hydrolysed to give the corresponding secondary alcohol.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Deacetylvindoline is a terpene indole alkaloid produced by Catharanthus roseus.  Deacetylvindoline is the product of a hydroxylation of desacetoxyvindoline by deacetoxyvindoline 4-hydroxylase (D4H).  It is a substrate for deacetylvindoline O-acetyltransferase (DAT) which acetylates a hydroxy group to form vindoline, one of the two immediate precursors for the formation of the pharmacetucially valuable bisindole alkaloid vinblastine.