Basic information
- CAS
10210-21-6- Standard SMILES
CCCCCC(=O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O- InChIKey
MLTVHORGISIISB-UHFFFAOYSA-N- Molecular formula
- C21H20O7
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.12090297
Overview
2-hexanoyl-1,3,8-trihydroxy-6-methoxy-anthraquinone is a polyketide and a trihydroxyanthraquinone.
Names & identifiers
- Preferred name
- Anthraquinone, 2-hexanoyl-1,3,8-trihydroxy-6-methoxy-
- IUPAC
- 2-hexanoyl-1,3,8-trihydroxy-6-methoxyanthracene-9,10-dione
- English name
- 1,3,8-Trihydroxy-6-methoxy-2-(1-oxohexyl)-9,10-anthraquinone
- Molecular formula
- C21H20O7
- Molecular weight
- 384.38
Names & synonyms
Solorinic acid10210-21-6Anthraquinone, 2-hexanoyl-1,3,8-trihydroxy-6-methoxy-2-hexanoyl-1,3,8-trihydroxy-6-methoxyanthracene-9,10-dioneGFT6JJ47QXNSC 2583181,3,8-Trihydroxy-6-methoxy-2-(1-oxohexyl)-9,10-anthraquinoneNSC-2583181,3,8-Trihydroxy-6-methoxy-2-(1-oxohexyl)-9,10-anthracenedione9,10-Anthracenedione, 1,3,8-trihydroxy-6-methoxy-2-(1-oxohexyl)-NSC258318UNII-GFT6JJ47QX
Show more names
SCHEMBL16226154DTXSID40144639CHEBI:1440729,10-Anthracenedione,1,3,8-trihydroxy-6-methoxy-2-(1-oxohexyl)-Anthraquinone,3,8-trihydroxy-6-methoxy-DS-006088WLN: L C666 BV IVJ DQ EV5 FQ LO1 NQ9, 1,3,8-trihydroxy-6-methoxy-2-(1-oxohexyl)-
Database identifiers
- CAS
10210-21-6- PubChem CID
- 99653
- DTXSID
DTXSID40144639- ChEBI
CHEBI:144072
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 618
Physicochemical properties
- Boiling point
- 613.4 · 613.4±55.0 °C(Predicted)
- Density
- 1.393 · 1.393±0.06 g/cm3(Predicted)
- pka
- 4.21 · 4.21±0.20(Predicted)
- FDA UNII
- 6 JJ47QX · GFT6JJ47QX
Chemistry & industry
Additional notes
DefinitionChEBI: 2-hexanoyl-1,3,8-trihydroxy-6-methoxy-anthraquinone is a trihydroxyanthraquinone and a polyketide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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