CHEBI:68864 - rel-(−)-(1S,4R,10R)-1-hydroxy-4-methoxycembra-2E,7E,11Z-trien-20,10-olide

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ChEBI Name rel-(−)-(1S,4R,10R)-1-hydroxy-4-methoxycembra-2E,7E,11Z-trien-20,10-olide
ChEBI ID CHEBI:68864
ChEBI ASCII Name rel-(-)-(1S,4R,10R)-1-hydroxy-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 hydroxy group at position 1 and a methoxy group at position 4. It has been isolated from the leaves of natural product found in Croton gratissimus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H32O4
Net Charge 0
Average Mass 348.47640
Monoisotopic Mass 348.23006
InChI InChI=1S/C21H32O4/c1-15(2)21(23)10-8-17-14-18(25-19(17)22)13-16(3)7-6-9-20(4,24-5)11-12-21/h7,11-12,14-15,18,23H,6,8-10,13H2,1-5H3/b12-11+,16-7+/t18-,20-,21-/m1/s1
InChIKey SNVXMOVBQLWNPN-ATPCUWRTSA-N
SMILES CO[C@]1(C)CC\C=C(C)\C[C@H]2OC(=O)C(CC[C@](O)(C(C)C)\C=C\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.
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ChEBI Ontology
Outgoing rel-(−)-(1S,4R,10R)-1-hydroxy-4-methoxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68864) has role metabolite (CHEBI:25212)
rel-(−)-(1S,4R,10R)-1-hydroxy-4-methoxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68864) is a cembrane diterpenoid (CHEBI:60687)
rel-(−)-(1S,4R,10R)-1-hydroxy-4-methoxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68864) is a diterpene lactone (CHEBI:49193)
rel-(−)-(1S,4R,10R)-1-hydroxy-4-methoxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68864) is a ether (CHEBI:25698)
rel-(−)-(1S,4R,10R)-1-hydroxy-4-methoxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68864) is a macrocycle (CHEBI:51026)
rel-(−)-(1S,4R,10R)-1-hydroxy-4-methoxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68864) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(4S*,5E,7R*,10E,13R*)-4-hydroxy-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