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CHEBI:132649 - acuminatin
| Formula | C21H24O4 |
| Net Charge | 0 |
| Average Mass | 340.419 |
| Monoisotopic Mass | 340.16746 |
| SMILES | C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc(OC)c(OC)c1)O2 |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Machilus obovatifolia (ncbitaxon:325538) | stem (BTO:0001300) | PubMed (11509982) | |
| Epimedium acuminatum (ncbitaxon:253612) | aerial part (BTO:0001658) | PubMed (1442064) | |
| Piper kadsura (ncbitaxon:54803) | aerial part (BTO:0001658) | PubMed (8237383) | |
| Epimedium koreanum (ncbitaxon:63351) | aerial part (BTO:0001658) | Article (Chinese Journal of Medicinal Chemistry (1998), 8, 281-284 ) | |
| Machilus thunbergii (ncbitaxon:128685) | bark (BTO:0001301) | PubMed (11045899) | |
| Magnolia ovata (ncbitaxon:152188) | |||
| fruit (BTO:0000486) | PubMed (23157012) | ||
| leaf (BTO:0000713) | PubMed (19658431) | ||
| Fusarium solani (ncbitaxon:169388) | - | Article (Weed Science (2002), 50, 658-661) | |
| Musa acuminata (ncbitaxon:4641) | - | PubMed (2458108) | |
| Fusarium acuminatum (ncbitaxon:5515) | - | Article (Journal of agricultural and food chemistry (1989), 37, 1348-1351) | |
| Epimedium pubescens (ncbitaxon:153729) | leaf (BTO:0000713) | PubMed (24066589) |
| Roles Classification |
|---|
| Biological Roles: | 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 Relation(s) |
| 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 |
| Manual Xrefs | Databases |
|---|---|
| C00032698 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1437626 | Reaxys |
| CAS:41744-39-2 | KNApSAcK |
| CAS:41744-39-2 | ChemIDplus |
| Citations |
|---|