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CHEBI:156327 - pectolinarin
| Formula | C29H34O15 |
| Net Charge | 0 |
| Average Mass | 622.576 |
| Monoisotopic Mass | 622.18977 |
| SMILES | COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1 |
| InChI | InChI=1S/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3/t11-,18+,20-,21+,23+,24-,25+,26+,28+,29+/m0/s1 |
| InChIKey | DUXQKCCELUKXOE-CBBZIXHGSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Linaria reflexa (ncbitaxon:1070263) | aerial part (BTO:0001658) | PubMed (28032514) | |
| Trollius ledebouri (ncbitaxon:46346) | - | PubMed (29668849) | |
| Lippia rubella (ncbitaxon:320356) | - | PubMed (30817148) | |
| Linaria scariosa (IPNI:804939-1) | aerial part (BTO:0001658) | PubMed (31215236) | |
| Cirsium setidens (ncbitaxon:859427) | - | PubMed (28851651) | |
| Cirsium japonicum (ncbitaxon:516546) | - | PubMed (32121091) |
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor An EC 3.4.22.* (cysteine endopeptidase) inhibitor that interferes with the action of SARS coronavirus main proteinase (EC 3.4.22.69). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pectolinarin (CHEBI:156327) has functional parent pectolinarigenin (CHEBI:81336) |
| pectolinarin (CHEBI:156327) has role anti-inflammatory agent (CHEBI:67079) |
| pectolinarin (CHEBI:156327) has role antineoplastic agent (CHEBI:35610) |
| pectolinarin (CHEBI:156327) has role antioxidant (CHEBI:22586) |
| pectolinarin (CHEBI:156327) has role apoptosis inducer (CHEBI:68495) |
| pectolinarin (CHEBI:156327) has role EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor (CHEBI:147285) |
| pectolinarin (CHEBI:156327) has role plant metabolite (CHEBI:76924) |
| pectolinarin (CHEBI:156327) is a dimethoxyflavone (CHEBI:23798) |
| pectolinarin (CHEBI:156327) is a disaccharide derivative (CHEBI:63353) |
| pectolinarin (CHEBI:156327) is a glycosyloxyflavone (CHEBI:50018) |
| pectolinarin (CHEBI:156327) is a monohydroxyflavanone (CHEBI:38748) |
| pectolinarin (CHEBI:156327) is a rutinoside (CHEBI:26587) |
| IUPAC Name |
|---|
| 5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| 5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside | IUPAC |
| pectolinarigenin-7-O-rutinoside | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LSM-20935 | LINCS |
| Pectolinarin | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| CAS:28978-02-1 | ChemIDplus |
| Citations |
|---|