Basic information
- Standard SMILES
O=c1c2c(O)cccc2oc2cc(O)cc(O)c12- InChIKey
USKKTSTUBVKGIU-UHFFFAOYSA-N- Molecular formula
- C13H8O5
- Average molar mass
- 244.2 g/mol
Overview
1,3,8-trihydroxyxanthen-9-one has been reported in Rhachidosorus mesosorus with data available.
Names & identifiers
- Preferred name
- 1,3,8-Trihydroxyxanthone
- IUPAC
- 1,3,8-trihydroxyxanthen-9-one
Names & synonyms
1,3,8-Trihydroxyxanthone1,3,8-trihydroxyxanthen-9-oneNorsterigmatocystinXanthen-9-one, 1,3,8-trihydroxy-1,3,8-Trihydroxy-9H-xanthen-9-one9H-Xanthen-9-one, 1,3,8-trihydroxy-Xanthen-9-one, 1.2CHEMBL469039SCHEMBL9838552BDBM591911,3,8-Trihydroxy-9H-xanthen-9-one #1,3,8-Trimethoxy-5,7-Dimethoxyxanthen-9-one
Database identifiers
- PubChem CID
- 5377089
- ChEMBL
CHEMBL469039- Nikkaji
- J103.129E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 344
Related reactions
2 records
Compound notes
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