Aurofusarin
Basic information
- CAS
13191-64-5- Standard SMILES
COC1=C(C2=C(OC)C(=O)c3cc4oc(C)cc(=O)c4c(O)c3C2=O)C(=O)c2c(cc3oc(C)cc(=O)c3c2O)C1=O- InChIKey
VSWWTKVILIZDGX-UHFFFAOYSA-N- Molecular formula
- C30H18O12
- Average molar mass
- 570.5 g/mol
- Monoisotopic mass
- 570.07982601
Overview
Aurofusarin is an organic heterotricyclic compound and an organooxygen compound.
Names & identifiers
- Preferred name
- Aurofusarin
- IUPAC
- 5-hydroxy-7-(5-hydroxy-8-methoxy-2-methyl-4,6,9-trioxobenzo[g]chromen-7-yl)-8-methoxy-2-methylbenzo[g]chromene-4,6,9-trione
- English name
- aurofusarin
- Molecular formula
- C30H18O12
- Molecular weight
- 570.46
Names & synonyms
Aurofusarin13191-64-5Airofusorin5-hydroxy-7-(5-hydroxy-8-methoxy-2-methyl-4,6,9-trioxobenzo[g]chromen-7-yl)-8-methoxy-2-methylbenzo[g]chromene-4,6,9-trioneEYG3R23SI1(7,7'-Bi-4H-naphtho(2,3-b)pyran)-4,4',6,6',9,9'-hexone, 5,5'-dihydroxy-8,8'-dimethoxy-2,2'-dimethyl-NSC-244432DTXSID501572505-hydroxy-7-(5-hydroxy-8-methoxy-2-methyl-4,6,9-trioxobenzo(g)chromen-7-yl)-8-methoxy-2-methylbenzo(g)chromene-4,6,9-trioneRefChem:115656DTXCID70797415,5'-dihydroxy-8,8'-dimethoxy-2,2'-dimethyl-4H,4'H-7,7'-bibenzo(g)chromene-4,4',6,6',9,9'-hexone
Show more names
NSC 2444325,5'-Dihydroxy-8,8'-dimethoxy-2,2'-dimethyl-7,7'-bi[4H-naphtho[2,3-b]pyran]-4,4',6,6',9,9'-hexone[7,7'-Bi-4H-naphtho[2,3-b]pyran]-4,4',6,6',9,9'-hexone, 5,5'-dihydroxy-8,8'-dimethoxy-2,2'-dimethyl-
5,5'-Dihydroxy-8,8'-dimethoxy-2,2'-dimethyl-4H,4'H-[7,7'-bibenzo[g]chromene]-4,4',6,6',9,9'-hexaoneUNII-EYG3R23SI1orb2645951SCHEMBL5578918CHEBI:177751MFCD11045522NSC244432TN8054
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,370
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 360 ℃ · >360℃
- Boiling point
- 853.8 · 853.8±65.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- pka
- 2.52 · 2.52±0.40(Predicted)
- FDA UNII
- 3 R23SI1 · EYG3R23SI1
Chemistry & industry
Applications
UsesAurofusarin is a dimeric naphthoquinone mycotoxin with antibiotic properties.
Additional notes
DefinitionChEBI: Aurofusarin is an organooxygen compound and an organic heterotricyclic compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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