CHEBI:228954 - 16-Propoxystrychnine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 16-Propoxystrychnine
ChEBI ID CHEBI:228954
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H28N2O3
Net Charge 0
Average Mass 392.499
Monoisotopic Mass 392.20999
InChI InChI=1S/C24H28N2O3/c1-2-10-29-24-13-16-15-7-11-28-19-12-20(27)26-18-6-4-3-5-17(18)23(24,22(26)21(16)19)8-9-25(24)14-15/h3-7,16,19,21-22H,2,8-14H2,1H3/t16?,19?,21?,22-,23-,24?/m0/s1
InChIKey HSSPPKUPUVYOBZ-BHLWPHEPSA-N
SMILES O(C12N3CC[C@]14[C@]5(N(C=6C4=CC=CC6)C(=O)CC7OCC=C(C(C57)C2)C3)[H])CCC
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
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 )
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ChEBI Ontology
Outgoing 16-Propoxystrychnine (CHEBI:228954) is a alkaloid (CHEBI:22315)
IUPAC Name
(8aS,13aS)-5a-propoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Manual Xref Database
4478732 ChemSpider
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