CHEBI:132647 - futoenone

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ChEBI Name futoenone
ChEBI ID CHEBI:132647
Definition A neolignan with formula C20H20O5 that is isolated from Magnolia sprengeri and Piper wallichii.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information ChemicalBook:CB5855401, ZINC000005854633
Download Molfile XML SDF
Formula C20H20O5
Net Charge 0
Average Mass 340.371
Monoisotopic Mass 340.13107
InChI InChI=1S/C20H20O5/c1-11-14(12-3-4-16-17(5-12)24-10-23-16)6-13-8-20(11)9-18(22-2)15(21)7-19(20)25-13/h3-5,7,9,11,13-14H,6,8,10H2,1-2H3/t11-,13+,14+,20-/m1/s1
InChIKey SXHVHWXETMBKPP-KXXATPMCSA-N
SMILES O1[C@@H]2C[C@@]3([C@@H]([C@H](C2)C4=CC=5OCOC5C=C4)C)C1=CC(=O)C(OC)=C3
Metabolite of Species Details
Piper wallichii (NCBI:txid450288) Found in stem (BTO:0001300). See: PubMed
Magnolia sp.engeri (NCBI:txid86737) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing futoenone (CHEBI:132647) has role plant metabolite (CHEBI:76924)
futoenone (CHEBI:132647) is a benzodioxoles (CHEBI:38298)
futoenone (CHEBI:132647) is a bridged compound (CHEBI:35990)
futoenone (CHEBI:132647) is a cyclic ketone (CHEBI:3992)
futoenone (CHEBI:132647) is a enol ether (CHEBI:47985)
futoenone (CHEBI:132647) is a enone (CHEBI:51689)
futoenone (CHEBI:132647) is a neolignan (CHEBI:25497)
futoenone (CHEBI:132647) is a organic heterotricyclic compound (CHEBI:26979)
futoenone (CHEBI:132647) is a ring assembly (CHEBI:36820)
IUPAC Name
(2S,4S,5R,5aS)-4-(2H-1,3-benzodioxol-5-yl)-7-methoxy-5-methyl-2,3,4,5-tetrahydro-8H-2,5a-methano-1-benzoxepin-8-one
Synonyms Sources
(-)-Futoenone KNApSAcK
OAS 1136 ChEBI
Manual Xref Database
C00041535 KNApSAcK
View more database links
Registry Numbers Types Sources
19913-01-0 CAS Registry Number KNApSAcK
6538259 Reaxys Registry Number Reaxys
Citations Types Sources
22080044 PubMed citation Europe PMC
22734410 PubMed citation Europe PMC
Last Modified
14 December 2016