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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: | potassium channel blocker An agent that inhibits cell membrane glycoproteins that are selectively permeable to potassium ions. Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . 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. mycotoxin Poisonous substance produced by fungi. Penicillium metabolite Any fungal metabolite produced during a metabolic reaction in Penicillium. 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 |
|---|