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CHEBI:72765 - verruculogen
| Formula | C27H33N3O7 |
| Net Charge | 0 |
| Average Mass | 511.575 |
| Monoisotopic Mass | 511.23185 |
| SMILES | [H][C@@]12CCCN1C(=O)[C@]1(O)[C@@H](O)c3c4n(c5cc(OC)ccc35)[C@@H](C=C(C)C)OOC(C)(C)C[C@]4([H])N1C2=O |
| InChI | InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1 |
| InChIKey | LRXYHMMJJCTUMY-GWXUGYLUSA-N |
| Roles Classification |
|---|
| Chemical Role: | oxidising agent A substance that removes electrons from another reactant in a redox reaction. |
| Biological Roles: | Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . Penicillium metabolite Any fungal metabolite produced during a metabolic reaction in Penicillium. mycotoxin Poisonous substance produced by fungi. GABA modulator A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. potassium channel blocker An agent that inhibits cell membrane glycoproteins that are selectively permeable to potassium ions. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | GABA modulator A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| verruculogen (CHEBI:72765) has role Aspergillus metabolite (CHEBI:76956) |
| verruculogen (CHEBI:72765) has role Penicillium metabolite (CHEBI:76964) |
| verruculogen (CHEBI:72765) has role GABA modulator (CHEBI:50268) |
| verruculogen (CHEBI:72765) has role mycotoxin (CHEBI:25442) |
| verruculogen (CHEBI:72765) has role potassium channel blocker (CHEBI:50509) |
| verruculogen (CHEBI:72765) is a aromatic ether (CHEBI:35618) |
| verruculogen (CHEBI:72765) is a diol (CHEBI:23824) |
| verruculogen (CHEBI:72765) is a indole alkaloid (CHEBI:38958) |
| verruculogen (CHEBI:72765) is a organic heterohexacyclic compound (CHEBI:51914) |
| verruculogen (CHEBI:72765) is a organic peroxide (CHEBI:25702) |
| Incoming Relation(s) |
| fumitremorgin A (CHEBI:72766) has functional parent verruculogen (CHEBI:72765) |
| IUPAC Name |
|---|
| (5R,10S,10aR,14aS,15bS)-10,10a-dihydroxy-6-methoxy-2,2-dimethyl-5-(2-methylprop-1-en-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione |
| Synonyms | Source |
|---|---|
| TR 1 | ChEBI |
| TR 1 toxin | ChEBI |
| UniProt Name | Source |
|---|---|
| verruculogen | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C20045 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3579339 | Reaxys |
| CAS:12771-72-1 | ChemIDplus |
| Citations |
|---|