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CHEBI:141667 - (−)-noscapine hemiacetal

ChEBI IDCHEBI:141667
ChEBI Name(−)-noscapine hemiacetal
Stars
ASCII Name(-)-noscapine hemiacetal
DefinitionA lactol that is (−)-noscapine [which is also known as (−)-α-narcotine] in which the carbonyl group of the lactone moiety has been reduced to give the corresponding lactol. It is the biosynthetic precursor of (−)-noscapine.
Last Modified20 August 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H25NO7
Net Charge0
Average Mass415.442
Monoisotopic Mass415.16310
SMILES[H][C@]1([C@@]2([H])c3c(cc4c(c3OC)OCO4)CCN2C)OC(O)c2c1ccc(OC)c2OC
InChIInChI=1S/C22H25NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18,22,24H,7-8,10H2,1-4H3/t17-,18+,22?/m1/s1
InChIKeyTZNFGVJRQISOHK-HVHHGIHYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(−)-noscapine hemiacetal (CHEBI:141667) is a 2-benzofurans (CHEBI:38831)
(−)-noscapine hemiacetal (CHEBI:141667) is a aromatic ether (CHEBI:35618)
(−)-noscapine hemiacetal (CHEBI:141667) is a benzylisoquinoline alkaloid (CHEBI:22750)
(−)-noscapine hemiacetal (CHEBI:141667) is a cyclic acetal (CHEBI:59770)
(−)-noscapine hemiacetal (CHEBI:141667) is a lactol (CHEBI:38131)
(−)-noscapine hemiacetal (CHEBI:141667) is a organic heterobicyclic compound (CHEBI:27171)
(−)-noscapine hemiacetal (CHEBI:141667) is a organic heterotricyclic compound (CHEBI:26979)
(−)-noscapine hemiacetal (CHEBI:141667) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
(−)-noscapine (CHEBI:73237) has functional parent (−)-noscapine hemiacetal (CHEBI:141667)
IUPAC Name 
(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-ol
Synonyms  Source
(−)-α-narcotine hemiacetalChEBI
(−)-narcotine hemiacetalChEBI
noscapine hemiacetalChEBI
UniProt Name  Source
narcotine hemiacetalUniProt
Manual XrefsDatabases
CPD-14833MetaCyc
C20297KEGG COMPOUND
Registry NumbersSources
Reaxys:6547265Reaxys
Citations