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CHEBI:141130 - grandiflorenic acid
| Formula | C20H28O2 |
| Net Charge | 0 |
| Average Mass | 300.442 |
| Monoisotopic Mass | 300.20893 |
| SMILES | [H][C@]12CC[C@]34CC(=C)[C@H](CC=C3[C@]1(C)CCC[C@@]2(C)C(=O)O)C4 |
| InChI | InChI=1S/C20H28O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h6,14-15H,1,4-5,7-12H2,2-3H3,(H,21,22)/t14-,15+,18-,19-,20-/m1/s1 |
| InChIKey | RJIPNPHMQGDUBW-RFGKEDTNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sphagneticola trilobata (ncbitaxon:53737) | |||
| root (BTO:0001188) | PubMed (30097110) | ||
| - | PubMed (15787248) | ||
| Montanoa tomentosa (ncbitaxon:167007) | root (BTO:0001188) | PubMed (19581023) | |
| Ageratina deltoidea (ncbitaxon:102749) | aerial part (BTO:0001658) | PubMed (29427474) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. antileishmanial agent An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. 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. vulnerary A drug used in treating and healing of wounds. antileishmanial agent An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| grandiflorenic acid (CHEBI:141130) has role anti-inflammatory agent (CHEBI:67079) |
| grandiflorenic acid (CHEBI:141130) has role antibacterial agent (CHEBI:33282) |
| grandiflorenic acid (CHEBI:141130) has role antileishmanial agent (CHEBI:70868) |
| grandiflorenic acid (CHEBI:141130) has role plant metabolite (CHEBI:76924) |
| grandiflorenic acid (CHEBI:141130) has role vulnerary (CHEBI:73336) |
| grandiflorenic acid (CHEBI:141130) is a ent-kaurane diterpenoid (CHEBI:36760) |
| grandiflorenic acid (CHEBI:141130) is a monocarboxylic acid (CHEBI:25384) |
| grandiflorenic acid (CHEBI:141130) is a tetracyclic diterpenoid (CHEBI:52557) |
| IUPAC Name |
|---|
| (5β,8α,10α,13α)-kaura-9(11),16-dien-18-oic acid |
| Synonyms | Source |
|---|---|
| kaura-9(11),16-dien-18-oic acid | ChemIDplus |
| kauradienoic acid | ChEBI |
| ent-kaura-9(11),16-dien-18-oic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 24657544 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:22338-67-6 | ChemIDplus |
| Citations |
|---|