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CHEBI:68870 - rel-(+)-(5R,10R)-5-methoxycembra-1E,3E,7E,11Z,15-pentaen-20,10-olide

ChEBI IDCHEBI:68870
ChEBI Namerel-(+)-(5R,10R)-5-methoxycembra-1E,3E,7E,11Z,15-pentaen-20,10-olide
Stars
ASCII Namerel-(+)-(5R,10R)-5-methoxycembra-1E,3E,7E,11Z,15-pentaen-20,10-olide
DefinitionA cembrane diterpenoid that is cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide substituted by a methoxy group at position 5. It has been isolated from the leaves of Croton gratissimus.
Last Modified30 September 2013
DownloadsMolfile
FormulaC21H28O3
Net Charge0
Average Mass328.452
Monoisotopic Mass328.20384
SMILES[H][C@]12C=C(CC/C(C(=C)C)=C\C=C(/C)[C@H](OC)C/C=C(\C)C1)C(=O)O2
InChIInChI=1S/C21H28O3/c1-14(2)17-8-7-16(4)20(23-5)11-6-15(3)12-19-13-18(10-9-17)21(22)24-19/h6-8,13,19-20H,1,9-12H2,2-5H3/b15-6+,16-7+,17-8+/t19-,20-/m1/s1
InChIKeyNQLWXHKCOGCSFI-PVHWGTCTSA-N
Species of MetaboliteComponentSourceComments
Croton gratissimus (ncbitaxon:316784) leaf (BTO:0000713) PubMed (22032651) Combined hexane,methylene chloride,ethyl acetate and methanol extract of Ground leaves
Roles Classification
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)
rel-(+)-(5R,10R)-5-methoxycembra-1E,3E,7E,11Z,15-pentaen-20,10-olide (CHEBI:68870) has role metabolite (CHEBI:25212)
rel-(+)-(5R,10R)-5-methoxycembra-1E,3E,7E,11Z,15-pentaen-20,10-olide (CHEBI:68870) is a cembrane diterpenoid (CHEBI:60687)
rel-(+)-(5R,10R)-5-methoxycembra-1E,3E,7E,11Z,15-pentaen-20,10-olide (CHEBI:68870) is a diterpene lactone (CHEBI:49193)
rel-(+)-(5R,10R)-5-methoxycembra-1E,3E,7E,11Z,15-pentaen-20,10-olide (CHEBI:68870) is a ether (CHEBI:25698)
rel-(+)-(5R,10R)-5-methoxycembra-1E,3E,7E,11Z,15-pentaen-20,10-olide (CHEBI:68870) is a macrocycle (CHEBI:51026)
IUPAC Name 
(4E,6E,8R*,10E,13R*)-8-methoxy-7,11-dimethyl-4-(prop-1-en-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-one
Citations