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CHEBI:132624 - columbianadin
| Formula | C19H20O5 |
| Net Charge | 0 |
| Average Mass | 328.364 |
| Monoisotopic Mass | 328.13107 |
| SMILES | [H][C@@]1(C(C)(C)OC(=O)/C(C)=C\C)Cc2c(ccc3ccc(=O)oc23)O1 |
| InChI | InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)15-10-13-14(22-15)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3/b11-5-/t15-/m0/s1 |
| InChIKey | JRIBPWOXWIRQOQ-GHAIFCDISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Angelica biserrata (ncbitaxon:357970) | root (BTO:0001188) | PubMed (CBA:341485) | |
| Angelica decursiva (ncbitaxon:52491) | root (BTO:0001188) | PubMed (22784551) | |
| Angelica pubescens (ncbitaxon:312530) | root (BTO:0001188) | PubMed (18405608) | |
| Heracleum candolleaum (ncbitaxon:1162817) | |||
| seed (BTO:0001226) | PubMed (12509159) | ||
| root (BTO:0001188) | PubMed (12509159) | ||
| Peucedanum decursivum (ncbitaxon:52491) | - | PubMed (12525036) | |
| Peucedanum palustre (ncbitaxon:1572681) | root (BTO:0001188) | PubMed (27133212) | |
| Rattus norvegicus (ncbitaxon:10116) | - | PubMed (19662622) | |
| Zosima absinthifolia (ncbitaxon:489418) | - | PubMed (21185922) |
| Roles Classification |
|---|
| Biological Roles: | apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. hepatoprotective agent Any compound that is able to prevent damage to the liver. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| columbianadin (CHEBI:132624) has functional parent angelic acid (CHEBI:36431) |
| columbianadin (CHEBI:132624) has role anti-inflammatory agent (CHEBI:67079) |
| columbianadin (CHEBI:132624) has role antineoplastic agent (CHEBI:35610) |
| columbianadin (CHEBI:132624) has role apoptosis inducer (CHEBI:68495) |
| columbianadin (CHEBI:132624) has role hepatoprotective agent (CHEBI:62868) |
| columbianadin (CHEBI:132624) has role plant metabolite (CHEBI:76924) |
| columbianadin (CHEBI:132624) has role rat metabolite (CHEBI:86264) |
| columbianadin (CHEBI:132624) is a furanocoumarin (CHEBI:24128) |
| columbianadin (CHEBI:132624) is a α,β-unsaturated carboxylic ester (CHEBI:51737) |
| IUPAC Name |
|---|
| 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-yl (2Z)-2-methylbut-2-enoate |
| Synonym | Source |
|---|---|
| Zosimin | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1352491 | Reaxys |
| CAS:5058-13-9 | ChemIDplus |
| Citations |
|---|