15-Hydroxy-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

HCID 92043985

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Basic information

CAS: 104700-21-2
Standard SMILES: COc1cc2c(c3oc(=O)c4c(c13)CC(O)C4=O)C1C=COC1O2
InChIKey: JUJRETIUKMEFIA-UHFFFAOYSA-N
Molecular formula: C17H12O7
Average molar mass: 328.27 g/mol
Monoisotopic mass: 328.05830272

Names & identifiers

Preferred name: 15-Hydroxy-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
IUPAC: 15-hydroxy-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

Names & synonyms

104700-21-215-hydroxy-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-dioneAFLATOXINM4DTXSID001110414Cyclopenta[c]furo[3a(2),2a(2):4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-2-hydroxy-4-methoxy-

Database identifiers

CAS: 104700-21-2
PubChem CID: 92043985
DTXSID: DTXSID001110414
Nikkaji: J247.724F

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 91.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 24
Formal charge: 0
Complexity: 680

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

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