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
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:txidtxid450288) Found in stem (BTO:0001300). See: PubMed
Magnolia sp.engeri (NCBI:txidtxid86737) 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.
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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 Waiting for Citations Types Sources
22080044 PubMed citation Europe PMC
22734410 PubMed citation Europe PMC
Last Modified
14 December 2016