Norsolorinic acid
Basic information
- CAS
10254-99-6- Standard SMILES
CCCCCC(=O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O- InChIKey
XIJDBHLQUYAZJI-UHFFFAOYSA-N- Molecular formula
- C20H18O7
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.10525291
Overview
Norsolorinic acid is a polyketide that is anthraquinone bearing four hydroxy substituents at positions 1, 3, 6 and 8 as well as a hexanoyl substituent at position 2. It has a role as a fungal metabolite. It is a polyketide and a tetrahydroxyanthraquinone. It is a conjugate acid of a norsolorinate(1-).
Names & identifiers
- Preferred name
- Norsolorinic acid
- IUPAC
- 2-hexanoyl-1,3,6,8-tetrahydroxyanthracene-9,10-dione
- English name
- Norsolorinicacid
- Molecular formula
- C20H18O7
- Molecular weight
- 370.35
Names & synonyms
Norsolorinic acid10254-99-62-hexanoyl-1,3,6,8-tetrahydroxyanthracene-9,10-dioneQ1W7A6D0J69,10-Anthracenedione, 1,3,6,8-tetrahydroxy-2-(1-oxohexyl)-NSC-1385572-hexanoyl-1,3,6,8-tetrahydroxy-9,10-anthraquinoneCHEBI:71356DTXSID00145263RefChem:166697DTXCID1067754norsolorinate
Show more names
1,3,6,8-Tetrahydroxy-2-hexanoylanthracene-9,10-dione9,10-Anthracenedione,1,3,6,8-tetrahydroxy-2-(1-oxohexyl)-
2-Hexanoyl-1,3,6,8-tetrahydroxyanthraquinoneNORSOLORINICACIDNSC138557NSC 138557BRN 2065177UNII-Q1W7A6D0J6ANTHRAQUINONE, 2-HEXANOYL-1,3,6,8-TETRAHYDROXY-SCHEMBL41944903
Database identifiers
- CAS
10254-99-6- PubChem CID
- 25102
- DTXSID
DTXSID00145263- ChEBI
CHEBI:71356- UNII
- Q1W7A6D0J6
- Nikkaji
- J55.278J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 603
Physicochemical properties
- Melting point
- 256 · 256-257 °C
- Boiling point
- 584.9 · 584.9±50.0 °C(Predicted)
- Density
- 1.479 · 1.479±0.06 g/cm3(Predicted)
- pka
- 4.23 · 4.23±0.20(Predicted)
- FDA UNII
- 1 W7A6D0J6 · Q1W7A6D0J6
Chemistry & industry
Additional notes
DefinitionChEBI: A polyketide that is anthraquinone bearing four hydroxy substituents at positions 1, 3, 6 and 8 as well as a hexanoyl substituent at position 2.
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