4-(Methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
PubChem CID: 14403
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| Compound Synonyms | 408530-29-0, 4-(methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione, 11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione, 4-Methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione, Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a.alpha.,9a.alpha.-tetrahydro-4-methoxy-, NSC529592, Aflatoxin-B1, Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR-cis)-, Aflatoxin B1-13C-d3, SCHEMBL126479, DTXSID70873006, CHEBI:125421, OQIQSTLJSLGHID-UHFFFAOYSA-N, BCP20724, LMPK10000006, LSM-36909, C06800, E80604, BRD-A61273891-001-01-6, Q27216039, (6ar-cis)-ahydro-4-methoxy, NSC 529592, NSC-529592, NSC529592, HSDB 3453, AFB1, {Cyclopenta[c]furo[3',} {2':4,5]furo[2,3-h][1]benzopyran-1,11-dione,} 2,3,6a.alpha., 9a.alpha.-tetrahydro-4-methoxy-, {Cyclopenta[c]furo[3',2':4,} {5]furo[2,3-h][1]benzopyran-1,11-dione,} 2,3,6a, 9a-tetrahydro-4-methoxy-, {Cyclopenta[c]furo[3',2':4,} {5]furo[2,3-h][1]benzopyran-1,11-dione,} 2,3,6a, 9a-tetrahydro-4-methoxy-, (6aR-cis)-, 1-Cyclopentene-1-carboxylic acid, 2-(3a,8a-dihydro-4-hydroxy-6-methoxyfuro[2,3-b]benzofuran-5-yl)-5-oxo-, .delta.-lactone, 4-Methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione |
|---|---|
| Topological Polar Surface Area | 71.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | OQIQSTLJSLGHID-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | (-)-Aflatoxin B1, AFB1, AFBI, Aflatoxin B1, Aflatoxin B1 Dihydrochloride, (6aR-cis)-Isomer, Aflatoxin B1, cis(+,-)-Isomer, Aflatoxin-B1 |
| Heavy Atom Count | 23.0 |
| Compound Name | 4-(Methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione |
| Description | Production by Aspergillus flavus and Aspergillus parasiticus. Toxin causing Turkey X disease. One of the most potent carcinogens known in animals. Potential food contaminant especies in grains and nuts Aflatoxins are naturally occurring mycotoxins that are produced by many species of Aspergillus, a fungus, most notably Aspergillus flavus and Aspergillus parasiticus. At least 13 different types of aflatoxin are produced in nature. Aflatoxin B1 is considered the most toxic and is produced by both Aspergillus flavus and Aspergillus parasiticus. The native habitat of Aspergillus is in soil, decaying vegetation, hay, and grains undergoing microbiological deterioration and it invades all types of organic substrates whenever conditions are favorable for its growth. Favorable conditions include high moisture content (at least 7%) and high temperature. Aflatoxins B1 (AFB1) are contaminants of improperly stored foods, they are potent genotoxic and carcinogenic compounds, exerting their effects through damage to DNA. They can also induce mutations that increase oxidative damage. (PMID: 17214555). Crops which are frequently affected by Aspergillus contamination include cereals (maize, sorghum, pearl millet, rice, wheat), oilseeds (peanut, soybean, sunflower, cotton), spices (chile peppers, black pepper, coriander, turmeric, ginger), and tree nuts (almond, pistachio, walnut, coconut, brazil nut). Aflatoxin B1 is found in cereals and cereal products, nuts, and corn. |
| Exact Mass | 312.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.063 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 649.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 312.27 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Enzyme Uniprot Id | O43488, O95154, Q8NHP1 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3 |
| Smiles | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1 |
| Xlogp | 1.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H12O6 |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all