CHEBI:68875 - rel-(+)-(1R,10R)-cembra-2E,4E,7E,11Z-tetraen-20,10-olide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name rel-(+)-(1R,10R)-cembra-2E,4E,7E,11Z-tetraen-20,10-olide
ChEBI ID CHEBI:68875
ChEBI ASCII Name rel-(+)-(1R,10R)-cembra-2E,4E,7E,11Z-tetraen-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 C20H28O2
Net Charge 0
Average Mass 300.43510
Monoisotopic Mass 300.20893
InChI InChI=1S/C20H28O2/c1-14(2)17-9-8-15(3)6-5-7-16(4)12-19-13-18(11-10-17)20(21)22-19/h6-9,13-14,17,19H,5,10-12H2,1-4H3/b9-8+,15-6+,16-7+/t17-,19-/m1/s1
InChIKey GFSIRKGSRCAQRP-BSTDZIDZSA-N
SMILES CC(C)[C@H]1CCC2=C[C@@H](C\C(C)=C\C\C=C(C)\C=C\1)OC2=O
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
Croton gratissimus (NCBI:txid316784) Found in stem (BTO:0001300). Previous component: stem bark; 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-(+)-(1R,10R)-cembra-2E,4E,7E,11Z-tetraen-20,10-olide (CHEBI:68875) has role metabolite (CHEBI:25212)
rel-(+)-(1R,10R)-cembra-2E,4E,7E,11Z-tetraen-20,10-olide (CHEBI:68875) is a cembrane diterpenoid (CHEBI:60687)
rel-(+)-(1R,10R)-cembra-2E,4E,7E,11Z-tetraen-20,10-olide (CHEBI:68875) is a diterpene lactone (CHEBI:49193)
rel-(+)-(1R,10R)-cembra-2E,4E,7E,11Z-tetraen-20,10-olide (CHEBI:68875) is a macrocycle (CHEBI:51026)
IUPAC Name
(4R*,5E,7E,10E,13R*)-7,11-dimethyl-4-(propan-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one
Citation Waiting for Citations Type Source
22032651 PubMed citation Europe PMC
Last Modified
30 September 2013