Lunatin
Basic information
- Standard SMILES
COc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O- InChIKey
DGZZHABEBFUFSC-UHFFFAOYSA-N- Molecular formula
- C15H10O6
- Average molar mass
- 286.24 g/mol
- Monoisotopic mass
- 286.04773803
Overview
1,3,8-Trihydroxy-6-methoxyanthraquinone is a member of hydroxyanthraquinones.
Names & identifiers
- Preferred name
- Lunatin
- IUPAC
- 1,3,8-trihydroxy-6-methoxyanthracene-9,10-dione
Names & synonyms
Lunatin1,3,8-trihydroxy-6-methoxyanthracene-9,10-dione1,3,8-trihydroxy-6-methoxyanthraquinoneDTXSID501336405RefChem:154304DTXCID701766600CHEMBL459700SCHEMBL16226694SCHEMBL30761640CHEBI:206346314255-80-61,3,8-trihydroxy-6-methoxy-anthraquinone
Show more names
1,3,8-trihydroxy-6-methoxyanthra-9,10-quinone9,10-anthracenedione, 1,3,8-trihydroxy-6-methoxy-InChI=1/C15H10O6/c1-21-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-6(16)3-10(12)17/h2-5,16-18H,1H
Database identifiers
- PubChem CID
- 636723
- DTXSID
DTXSID501336405- ChEMBL
CHEMBL459700- ChEBI
CHEBI:206346- Nikkaji
- J1.759.203C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 449
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Related reactions
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Compound notes
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