CHEBI:27478 - deserpidine

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ChEBI Name deserpidine
ChEBI ID CHEBI:27478
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4444, CHEBI:23645
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Formulae C32H38N2O8
C32H38N2O8
Net Charge 0
Average Mass 578.65270
Monoisotopic Mass 578.263
InChI InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1
InChIKey CVBMAZKKCSYWQR-WCGOZPBSSA-N
SMILES CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1
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 deserpidine (CHEBI:27478) has parent hydride yohimban (CHEBI:35631)
deserpidine (CHEBI:27478) is a alkaloid ester (CHEBI:38481)
deserpidine (CHEBI:27478) is a benzoate ester (CHEBI:36054)
deserpidine (CHEBI:27478) is a methyl ester (CHEBI:25248)
deserpidine (CHEBI:27478) is a organic heteropentacyclic compound (CHEBI:38164)
deserpidine (CHEBI:27478) is a yohimban alkaloid (CHEBI:27358)
IUPAC Name
methyl (3β,16β,17α,18β,20α)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate
Synonyms Sources
(3β,16β,17α,18β,20α)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester NIST Chemistry WebBook
11-demethoxyreserpine ChemIDplus
11-desmethoxyreserpine ChemIDplus
canescine ChemIDplus
Deserpidine KEGG COMPOUND
Harmonyl ChemIDplus
Raunormine ChemIDplus
recanescine ChemIDplus
Manual Xrefs Databases
810 DrugCentral
C00001712 KNApSAcK
C06541 KEGG COMPOUND
D08194 KEGG DRUG
DB01089 DrugBank
Deserpidine Wikipedia
View more database links
Registry Numbers Types Sources
101820 Beilstein Registry Number Beilstein
131-01-1 CAS Registry Number ChemIDplus
131-01-1 CAS Registry Number NIST Chemistry WebBook
Last Modified
22 February 2017