CHEBI:66660 - 6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran

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ChEBI Name 6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran
ChEBI ID CHEBI:66660
ChEBI ASCII Name 6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran
Definition A member of the class of chromenes that is 2H-chromene substituted by geminal methyl groups at position 2, methoxy groups at positions 5 and 7 and a (3R)-3-hydroxybutanoyl group at position 6. Isolated from the leaves of Mallotus apelta, it exhibits antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H22O5
Net Charge 0
Average Mass 306.35360
Monoisotopic Mass 306.14672
InChI InChI=1S/C17H22O5/c1-10(18)8-12(19)15-14(20-4)9-13-11(16(15)21-5)6-7-17(2,3)22-13/h6-7,9-10,18H,8H2,1-5H3/t10-/m1/s1
InChIKey VMUZHLRZTBFODD-SNVBAGLBSA-N
SMILES COc1cc2OC(C)(C)C=Cc2c(OC)c1C(=O)C[C@@H](C)O
Metabolite of Species Details
Mallotus apelta (NCBI:txid463319) Found in leaf (BTO:0000713). 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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran (CHEBI:66660) has role antineoplastic agent (CHEBI:35610)
6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran (CHEBI:66660) has role metabolite (CHEBI:25212)
6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran (CHEBI:66660) is a β-hydroxy ketone (CHEBI:55380)
6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran (CHEBI:66660) is a aromatic ether (CHEBI:35618)
6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran (CHEBI:66660) is a aromatic ketone (CHEBI:76224)
6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran (CHEBI:66660) is a chromenes (CHEBI:23232)
IUPAC Name
(3R)-1-(5,7-dimethoxy-2,2-dimethyl-2H-chromen-6-yl)-3-hydroxybutan-1-one
Synonym Source
Mallotus benzopyran 1 ChEBI
Citation Waiting for Citations Type Source
16276967 PubMed citation Europe PMC
Last Modified
07 November 2013