EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:189471 - pseudolaric acid B
| Formula | C23H28O8 |
| Net Charge | 0 |
| Average Mass | 432.469 |
| Monoisotopic Mass | 432.17842 |
| SMILES | [H][C@@]12CC[C@]3(CC=C(C(=O)OC)CC[C@@]31OC(C)=O)C(=O)O[C@]2(C)/C=C/C=C(\C)C(=O)O |
| InChI | InChI=1S/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+/t17-,21+,22+,23-/m0/s1 |
| InChIKey | VDGOFNMYZYBUDT-YDRCMHEVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Oryza sativa (ncbitaxon:4530) | leaf sheath (BTO:0005094) | MetaboLights (MTBLS3518) | |
| Pseudolarix amabilis (ncbitaxon:3355) | bark (BTO:0001301) | PubMed (7760078) | Species also known as Pseudolarix kaempferi. |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. ferroptosis inducer Any substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. autophagy inducer Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell). |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pseudolaric acid B (CHEBI:189471) has role antifungal agent (CHEBI:35718) |
| pseudolaric acid B (CHEBI:189471) has role antineoplastic agent (CHEBI:35610) |
| pseudolaric acid B (CHEBI:189471) has role autophagy inducer (CHEBI:138880) |
| pseudolaric acid B (CHEBI:189471) has role ferroptosis inducer (CHEBI:173085) |
| pseudolaric acid B (CHEBI:189471) has role plant metabolite (CHEBI:76924) |
| pseudolaric acid B (CHEBI:189471) is a acetate ester (CHEBI:47622) |
| pseudolaric acid B (CHEBI:189471) is a diterpene lactone (CHEBI:49193) |
| pseudolaric acid B (CHEBI:189471) is a enoate ester (CHEBI:51702) |
| pseudolaric acid B (CHEBI:189471) is a methyl ester (CHEBI:25248) |
| pseudolaric acid B (CHEBI:189471) is a monocarboxylic acid (CHEBI:25384) |
| pseudolaric acid B (CHEBI:189471) is a olefinic compound (CHEBI:78840) |
| IUPAC Name |
|---|
| (2E,4E)-5-[(3R,4S,4aS,9aR)-4a-(acetyloxy)-7-(methoxycarbonyl)-3-methyl-1-oxo-3,4,4a,5,6,9-hexahydro-4,9a-ethanocyclohepta[c]pyran-3(1H)-yl]-2-methylpenta-2,4-dienoic acid |
| Synonyms | Source |
|---|---|
| O-acetylpseudolaric acid C | ChEBI |
| PAB | ChEBI |
| (−)-pseudolaric acid B | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 4977574 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:82508-31-4 | CAS |
| Citations |
|---|