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CHEBI:77050 - (S,S)-pavine

ChEBI IDCHEBI:77050
ChEBI Name(S,S)-pavine
Stars
ASCII Name(S,S)-pavine
DefinitionThe (S,S)-enantiomer of pavine.
Last Modified13 October 2014
SubmitterSteve
DownloadsMolfile
FormulaC20H23NO4
Net Charge0
Average Mass341.407
Monoisotopic Mass341.16271
SMILESCOc1cc2c(cc1OC)[C@@H]1Cc3cc(OC)c(OC)cc3[C@H](C2)N1
InChIInChI=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/t15-,16-/m0/s1
InChIKeySRSPZLZVGPJHJH-HOTGVXAUSA-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)
(S,S)-pavine (CHEBI:77050) is a 2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene (CHEBI:77051)
(S,S)-pavine (CHEBI:77050) is enantiomer of (R,R)-pavine (CHEBI:77049)
Incoming Relation(s)
pavine (CHEBI:77048) has part (S,S)-pavine (CHEBI:77050)
(R,R)-pavine (CHEBI:77049) is enantiomer of (S,S)-pavine (CHEBI:77050)
IUPAC Name 
(5S,11S)-2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
Registry NumbersSources
Reaxys:7548479Reaxys