acuminatin (CHEBI:132649)

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ChEBI Name	acuminatin

ChEBI ID	CHEBI:132649

Definition	A neolignan that is 5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran carrying additional 3,4-dimethoxyphenyl, methyl and methoxy substituents at positions 2, 3 and 7 respectively.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	qingping liu

Supplier Information

Download	Molfile XML SDF

Formula

C21H24O4

Net Charge

Average Mass

340.414

Monoisotopic Mass

340.16746

InChI

InChI=1S/C21H24O4/c1-6-7-14-10-16-13(2)20(25-21(16)19(11-14)24-5)15-8-9-17(22-3)18(12-15)23-4/h6-13,20H,1-5H3/b7-6+/t13-,20-/m1/s1

InChIKey

ITFKWUHXYCXXFF-XSOBDOKWSA-N

SMILES

O1[C@H]([C@@H](C2=C1C(OC)=CC(=C2)/C=C/C)C)C3=CC(OC)=C(OC)C=C3

Metabolite of Species	Details
Machilus thunbergii (NCBI:txid128685)	Found in bark (BTO:0001301). See: PubMed
Magnolia ovata (NCBI:txid152188)	Found in fruit (BTO:0000486). See: PubMed
Magnolia ovata (NCBI:txid152188)	Found in leaf (BTO:0000713). See: PubMed
Epimedium pubescens (NCBI:txid153729)	Found in leaf (BTO:0000713). See: PubMed
Fusarium solani (NCBI:txid169388)	See: Weed Science (2002), 50, 658-661
Epimedium acuminatum (NCBI:txid253612)	Found in aerial part (BTO:0001658). See: PubMed
Machilus obovatifolia (NCBI:txid325538)	Found in stem (BTO:0001300). See: PubMed
Musa acuminata (NCBI:txid4641)	See: PubMed
Piper kadsura (NCBI:txid54803)	Found in aerial part (BTO:0001658). See: PubMed
Fusarium acuminatum (NCBI:txid5515)	See: Journal of agricultural and food chemistry (1989), 37, 1348-1351
Epimedium koreanum (NCBI:txid63351)	Found in aerial part (BTO:0001658). See: Chinese Journal of Medicinal Chemistry (1998), 8, 281-284

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. fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.

ChEBI Ontology
Outgoing	acuminatin (CHEBI:132649) has role fungal metabolite (CHEBI:76946) acuminatin (CHEBI:132649) has role plant metabolite (CHEBI:76924) acuminatin (CHEBI:132649) is a 1-benzofurans (CHEBI:38830) acuminatin (CHEBI:132649) is a dimethoxybenzene (CHEBI:51681) acuminatin (CHEBI:132649) is a neolignan (CHEBI:25497) acuminatin (CHEBI:132649) is a olefinic compound (CHEBI:78840) acuminatin (CHEBI:132649) is a ring assembly (CHEBI:36820)

IUPAC Name

(2R,3R)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran

Synonym	Source
(+)-Acuminatin	ChEBI

Last Modified

15 December 2016