CHEBI:77048 - pavine

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ChEBI Name pavine
ChEBI ID CHEBI:77048
Definition A racemate comprising equimolar amounts of (R,R)- and (S,S)-pavine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H23NO4
Net Charge 0
Average Mass 341.40090
Monoisotopic Mass 341.16271
InChI InChI=1S/C20H23NO4/c1-22-17-7-11-5-15-14-10-20(25-4)18(23-2)8-12(14)6-16(21-15)13(11)9-19(17)24-3/h7-10,15-16,21H,5-6H2,1-4H3
InChIKey SRSPZLZVGPJHJH-UHFFFAOYSA-N
SMILES COc1cc2CC3NC(Cc4cc(OC)c(OC)cc34)c2cc1OC
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing pavine (CHEBI:77048) has part (R,R)-pavine (CHEBI:77049)
pavine (CHEBI:77048) has part (S,S)-pavine (CHEBI:77050)
pavine (CHEBI:77048) has role plant metabolite (CHEBI:76924)
pavine (CHEBI:77048) is a racemate (CHEBI:60911)
pavine (CHEBI:77048) is conjugate base of pavine(1+) (CHEBI:76921)
Incoming pavine(1+) (CHEBI:76921) is conjugate acid of pavine (CHEBI:77048)
IUPAC Name
rac-(5R,11R)-2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
Synonyms Sources
(±)-pavine ChEBI
(5RS,11RS)-2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene ChEBI
rac-pavine ChEBI
racemic pavine ChEBI
Manual Xref Database
Pavine_(molecule) Wikipedia
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Registry Numbers Types Sources
343994 Reaxys Registry Number Reaxys
7495317 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
19624470 PubMed citation Europe PMC
Last Modified
21 January 2014