Basic information
- CAS
476-57-3- Standard SMILES
COc1cc(O)c2c(c1)C(=O)c1c(O)c(C)cc(O)c1C2=O- InChIKey
VUUONEBXXLQCQX-UHFFFAOYSA-N- Molecular formula
- C16H12O6
- Average molar mass
- 300.26 g/mol
- Monoisotopic mass
- 300.0633881
Overview
Erythroglaucin is a trihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1, 4 and 5, a methoxy group at position 7 and a methyl group at position 2. It has been isolated from Chaetomium globosum and other fungal species. It has a role as a fungal metabolite and a Chaetomium metabolite. It is an aromatic ether and a trihydroxyanthraquinone.
Names & identifiers
- Preferred name
- Erythroglaucin
- IUPAC
- 1,4,5-trihydroxy-7-methoxy-2-methylanthracene-9,10-dione
- English name
- ERYTHROGLAUCIN
- Molecular formula
- C16H12O6
- Molecular weight
- 300.26
Names & synonyms
ErythroglaucinErythroglaucine476-57-31,4,5-trihydroxy-7-methoxy-2-methylanthracene-9,10-dioneCHEBI:68790DTXSID30197215RefChem:1084241DTXCID40119706ParietinANTHRAQUINONE, 7-METHOXY-2-METHYL-1,4,5-TRIHYDROXY-9,10-Anthracenedione, 1,4,5-trihydroxy-7-methoxy-2-methyl-CCRIS 6424
Show more names
1,4,5-Trihydroxy-7-methoxy-2-methyl-9,10-anthracenedione
BRN 1890890CHEMBL463597SCHEMBL16226462SCHEMBL29356669VUUONEBXXLQCQX-UHFFFAOYSA-NQ271371811,4,5-Trihydroxy-7-methoxy-2-methylanthra-9,10-quinone #
Database identifiers
- CAS
476-57-3- PubChem CID
- 10152
- DTXSID
DTXSID30197215- ChEMBL
CHEMBL463597- ChEBI
CHEBI:68790- Nikkaji
- J12.546F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 477
Physicochemical properties
- Melting point
- 205 · 205-206 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 600.3 · 600.3±55.0 °C(Predicted)
- Density
- 1.542 · 1.542±0.06 g/cm3(Predicted)
- pka
- 6.08 · 6.08±0.20(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: A trihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1, 4 and 5, a methoxy group at position 7 and a methyl group at position 2. It has been isolated from Chaetomium globosum and other fungal speci s.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…