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strychnogucine B

Go to external page http://purl.obolibrary.org/obo/CHEBI_66529

A bisindole alkaloid with a strychnine substructure isolated from the roots of Strychnos icaja and has been shown to exhibit antiplasmodial activity.

Term info

Label

strychnogucine B

Synonyms
  • (18alpha)-18-[(3aR,11aS,11bS,12R,13aS,14E)-14-(2-hydroxyethylidene)-9-oxo-2,3,11a,12,13,13a-hexahydro-9H,11bH-1,12-ethanopyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-10-yl]strychnidin-10-one
database cross reference
Subsets

3_STAR

IUPAC NAME
(18alpha)-18-[(3aR,11aS,11bS,12R,13aS,14E)-14-(2-hydroxyethylidene)-9-oxo-2,3,11a,12,13,13a-hexahydro-9H,11bH-1,12-ethanopyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-10-yl]strychnidin-10-one [ IUPAC ]

charge

0

formula

C42H42N4O4

has obo namespace

chebi_ontology

id

CHEBI:66529

inchi

InChI=1S/C42H42N4O4/c47-13-9-22-20-43-12-11-41-28-5-1-4-8-31(28)46-38(41)26(24(22)16-34(41)43)15-27(40(46)49)32-19-42-29-6-2-3-7-30(29)45-36(48)18-33-37(39(42)45)25-17-35(42)44(32)21-23(25)10-14-50-33/h1-10,15,24-26,32-35,37-39,47H,11-14,16-21H2/b22-9-/t24-,25-,26-,32+,33-,34-,35-,37-,38-,39-,41+,42+/m0/s1

inchikey

MMKIAHOGFMPKCT-LUNGMMDTSA-N

mass

666.80730

monoisotopicmass

666.32061

smiles

[H][C@@]12CC(=O)N3c4ccccc4[C@]45C[C@@H](N6CC(=CCO1)[C@]([H])(C[C@@]46[H])[C@]2([H])[C@]35[H])C1=C[C@@]2([H])[C@@]3([H])C[C@]4([H])N(CC[C@@]44c5ccccc5N(C1=O)[C@@]24[H])C\C3=C\CO