Aflatoxin G1
PubChem CID: 2724361
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| Compound Synonyms | AFLATOXIN G1, 1165-39-5, UNII-1DB78J7PUD, CCRIS 14, 1DB78J7PUD, HSDB 3455, EINECS 214-615-9, AFLATOXIN G1 [MI], BRN 1299768, AFLATOXIN G1 [HSDB], DTXSID6040959, 5-19-12-00081 (Beilstein Handbook Reference), (7aR,10aS)-3,4,7a,10a-tetrahydro-5-methoxy-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,12-dione, 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione,3,4,7a,10a-tetrahydro-5-methoxy-, (7aR-cis)-, aflatoxin G(1), (7AR,cis)3,4,7a,10a-tetrahydro-5-methoxy-1H,12H-furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)chromene-1,12-dione, (7aR,cis)3,4,7a,10a-tetrahydro-5-methoxy-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c]chromene-1,12-dione, 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,10a-tetrahydro-5-methoxy-, 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,10a-tetrahydro-5-methoxy-, (7aR,10aS)-, 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,10a-tetrahydro-5-methoxy-, (7aR-cis)-, Aflatoxin G1 2 microg/mL in Acetonitrile, DTXCID5036, CHEBI:80706, EX-A4122, HY-N6697, AKOS040760258, CS-0093065, F92906, Q27094976, rac-Des(4-cyclohexyl-L-proline) Fosinopril Acetic Acid, 3,4,7aalpha,10aalpha-Tetrahydro-5-methoxy-1H,12H-furo, (7AR,CIS)3,4,7A,10A-TETRAHYDRO-5-METHOXY-1H,12H- FURO(3',2':4,5)FURO(2,3-H)PYRANO(3,4-C)CHROMENE-1,12-DIONE, (7aR,cis)3,4,7a,10atetrahydro5methoxy1H,12Hfuro(3',2':4,5)furo(2,3h)pyrano(3,4c)chromene1,12dione, 1H,12H-FURO(3',2':4,5)FURO(2,3-H)PYRANO(3,4-C)(1)BENZOPYRAN- 1,12-DIONE, 3,4,7A,10A-TETRAHYDRO-5-METHOXY-, 1H,12H-FURO(3',2':4,5)FURO(2,3-H)PYRANO(3,4-C)(1)BENZOPYRAN- 1,12-DIONE,3,4,7A,10A-TETRAHYDRO-5-METHOXY-, (7AR-CIS)-, 1H,12HFuro(3',2':4,5)furo(2,3h)pyrano(3,4c)(1)benzopyran1,12dione,3,4,7a,10atetrahydro5methoxy, (7aRcis), 5-Methoxy-3,4,7a,10a-tetrahydro-1H,12H-furo[3',2':4,5]furo[2,3-H]pyrano[3,4-c]chromene-1,12-dione |
|---|---|
| Topological Polar Surface Area | 80.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 666.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3S,7R)-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C17H12O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XWIYFDMXXLINPU-WNWIJWBNSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.742 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.68 |
| Compound Name | Aflatoxin G1 |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 328.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.058 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 328.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9240445333333334 |
| Inchi | InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3/t8-,17+/m0/s1 |
| Smiles | COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients