CHEBI:77049 - (R,R)-pavine

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ChEBI Name (R,R)-pavine
ChEBI ID CHEBI:77049
ChEBI ASCII Name (R,R)-pavine
Definition The (R,R)-enantiomer of pavine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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/t15-,16-/m1/s1
InChIKey SRSPZLZVGPJHJH-HZPDHXFCSA-N
SMILES COc1cc2C[C@H]3N[C@H](Cc4cc(OC)c(OC)cc34)c2cc1OC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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 (R,R)-pavine (CHEBI:77049) is a 2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene (CHEBI:77051)
(R,R)-pavine (CHEBI:77049) is enantiomer of (S,S)-pavine (CHEBI:77050)
Incoming pavine (CHEBI:77048) has part (R,R)-pavine (CHEBI:77049)
(S,S)-pavine (CHEBI:77050) is enantiomer of (R,R)-pavine (CHEBI:77049)
IUPAC Name
(5R,11R)-2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
Last Modified
13 October 2014