CHEBI:70240 - Candimine

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ChEBI Name Candimine
ChEBI ID CHEBI:70240
Definition A natural product found in Hippeastrum morelianum and Hippeastrum candidum.
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:3351
Supplier Information
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Formulae C18H19NO6
C18H19NO6
Net Charge 0
Average Mass 345.34660
Monoisotopic Mass 345.12124
InChI InChI=1S/C18H19NO6/c1-19-4-3-8-5-10(20)15-12(14(8)19)9-6-11-16(24-7-23-11)17(22-2)13(9)18(21)25-15/h5-6,10,12,14-15,20H,3-4,7H2,1-2H3/t10-,12-,14+,15+/m0/s1
InChIKey OLGJGNBIBXKMJN-OBCWZRDOSA-N
SMILES [H][C@]12OC(=O)c3c(OC)c4OCOc4cc3[C@@]1([H])[C@]1([H])N(C)CCC1=C[C@@H]2O
Metabolite of Species Details
Hippeastrum morelianum (IPNI:122802-2) Found in bulb (BTO:0000159). Combined ethanolic extract of fresh bulbs See: PubMed
Hippeastrum candidum (IPNI:65056-1) See: PubMed
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 Candimine (CHEBI:70240) has role metabolite (CHEBI:25212)
Candimine (CHEBI:70240) is a alkaloid (CHEBI:22315)
Synonyms Sources
(5S,5aS,12bS,12cS)-5-Hydroxy-8-methoxy-1-methyl-2,3,5,5a,12b,12c-hexahydro[1,3]dioxolo[6,7]isochromeno[3,4-g]indol-7(1H)-one ChEBI
Candimine KEGG COMPOUND
Manual Xrefs Databases
C00001564 KNApSAcK
C08520 KEGG COMPOUND
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Registry Number Type Source
24585-19-1 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
21105684 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:2-benzopyran(CHEBI:38444); ISA:benzodioxoles(CHEBI:38298); ISA:indoles(CHEBI:24828); ISA:methoxybenzene(CHEBI:51683); ISA:aralkylamine(CHEBI:18000); ISA:aromatic ether(CHEBI:35618); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:tertiary amine(CHEBI:32876); ISA:secondary alcohol(CHEBI:35681); ISA:monocarboxylic acid(CHEBI:25384); ISA:acetal(CHEBI:59769); ISA:carbonyl compound(CHEBI:36586);