CHEBI:68868 - rel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name rel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide
ChEBI ID CHEBI:68868
ChEBI ASCII Name rel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide
Definition A cembrane diterpenoid isolated from the leaves of Croton gratissimus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H26O2
Net Charge 0
Average Mass 298.41920
Monoisotopic Mass 298.19328
InChI InChI=1S/C20H26O2/c1-14(2)17-9-8-15(3)6-5-7-16(4)12-19-13-18(11-10-17)20(21)22-19/h7-9,13,19H,1,5-6,10-12H2,2-4H3/b15-8+,16-7+,17-9+/t19-/m1/s1
InChIKey KGUUUDYKWYRRMZ-KTFRZDGWSA-N
SMILES CC(=C)C1=C/C=C(C)/CC\C=C(C)\C[C@H]2OC(=O)C(CC\1)=C2
Metabolite of Species Details
Croton gratissimus (NCBI:txid316784) Found in leaf (BTO:0000713). Combined hexane,methylene chloride,ethyl acetate and methanol extract of Ground leaves See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing rel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide (CHEBI:68868) has role metabolite (CHEBI:25212)
rel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide (CHEBI:68868) is a cembrane diterpenoid (CHEBI:60687)
rel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide (CHEBI:68868) is a diterpene lactone (CHEBI:49193)
rel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide (CHEBI:68868) is a macrocycle (CHEBI:51026)
IUPAC Name
(4E,6E,10E,13R*)-7,11-dimethyl-4-(prop-1-en-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-one
Citation Waiting for Citations Type Source
22032651 PubMed citation Europe PMC
Last Modified
30 September 2013