CHEBI:68863 - rel-(−)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide

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ChEBI Name rel-(−)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide
ChEBI ID CHEBI:68863
ChEBI ASCII Name rel-(-)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide
Definition A cembrane diterpenoid that is cembra-2E,7E,11Z-trien-20,10-olide substituted by a methoxy group at position 4. It has been 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 C21H32O3
Net Charge 0
Average Mass 332.47700
Monoisotopic Mass 332.235
InChI InChI=1S/C21H32O3/c1-15(2)17-8-9-18-14-19(24-20(18)22)13-16(3)7-6-11-21(4,23-5)12-10-17/h7,10,12,14-15,17,19H,6,8-9,11,13H2,1-5H3/b12-10+,16-7+/t17-,19+,21+/m0/s1
InChIKey ZRACFAVCRYEYFL-SPRANPSHSA-N
SMILES CO[C@]1(C)CC\C=C(C)\C[C@H]2OC(=O)C(CC[C@@H](\C=C\1)C(C)C)=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-(−)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68863) has role metabolite (CHEBI:25212)
rel-(−)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68863) is a cembrane diterpenoid (CHEBI:60687)
rel-(−)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68863) is a diterpene lactone (CHEBI:49193)
rel-(−)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68863) is a ether (CHEBI:25698)
rel-(−)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68863) is a macrocycle (CHEBI:51026)
IUPAC Name
(4R*,5E,7R*,10E,13R*)-7-methoxy-7,11-dimethyl-4-(propan-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one
Citation Waiting for Citations Type Source
22032651 PubMed citation Europe PMC
Last Modified
30 September 2013