CHEBI:36373 - vindesine

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ChEBI Name vindesine
ChEBI ID CHEBI:36373
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C43H55N5O7
Net Charge 0
Average Mass 753.92610
Monoisotopic Mass 753.410
InChI InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1
InChIKey HHJUWIANJFBDHT-KOTLKJBCSA-N
SMILES [H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(N)=O)[C@]1(C[C@@H]2C[N@](CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC
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 )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing vindesine (CHEBI:36373) has functional parent vincaleukoblastine (CHEBI:27375)
vindesine (CHEBI:36373) has role antineoplastic agent (CHEBI:35610)
vindesine (CHEBI:36373) is a methyl ester (CHEBI:25248)
vindesine (CHEBI:36373) is a organic heteropentacyclic compound (CHEBI:38164)
vindesine (CHEBI:36373) is a organic heterotetracyclic compound (CHEBI:38163)
vindesine (CHEBI:36373) is a primary carboxamide (CHEBI:140324)
vindesine (CHEBI:36373) is a tertiary alcohol (CHEBI:26878)
vindesine (CHEBI:36373) is a tertiary amino compound (CHEBI:50996)
vindesine (CHEBI:36373) is a vinca alkaloid (CHEBI:27288)
Incoming vindesine sulfate (CHEBI:32295) has functional parent vindesine (CHEBI:36373)
IUPAC Names
3-carbamoyl-O4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine
methyl (5S,7S,9S)-9-[(2β,3β,4β,5α,12β,19α)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate
Synonyms Sources
3-(aminocarbonyl)-O4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine ChemIDplus
3-carbamoyl-4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine ChemIDplus
desacetylvinblastine amide ChemIDplus
Database Link Database
DB00309 DrugBank
View more database links
Registry Numbers Types Sources
53643-48-4 CAS Registry Number ChemIDplus
7162300 Beilstein Registry Number Beilstein
Last Modified
05 March 2018