Basic information
- CAS
68963-23-5- Standard SMILES
Cc1ccc2c(c1)C(=O)c1c(O)cccc1C2=O- InChIKey
FKGIMVVHGSRHAU-UHFFFAOYSA-N- Molecular formula
- C15H10O3
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.06299418
Overview
isolated from Barleria buxifolia; structure in first source
Names & identifiers
- Preferred name
- Barleriaquinone I
- IUPAC
- 1-hydroxy-7-methylanthracene-9,10-dione
- English name
- barleriaquinone I
- Molecular formula
- C15H10O3
- Molecular weight
- 238.2381
Names & synonyms
Barleriaquinone IBarleriaquinone-IBQ-I cpd68963-23-51-hydroxy-7-methylanthracene-9,10-dioneDTXSID80219012RefChem:116569DTXCID001415031-Hydroxy-7-methyl-9,10-anthracenedione2-Methyl-8-hydroxyanthrachinonSCHEMBL294351369,10-Anthracenedione, 1-hydroxy-7-methyl-
Database identifiers
- CAS
68963-23-5- PubChem CID
- 155237
- DTXSID
DTXSID80219012- Nikkaji
- J1.229.901J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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