Ventinone A
Basic information
- CAS
73726-67-7- Standard SMILES
COc1cc(O)c2c(c1)C(=O)c1c(O)c(C)c(C)c(O)c1C2=O- InChIKey
LYCLASMOMOWSCE-UHFFFAOYSA-N- Molecular formula
- C17H14O6
- Average molar mass
- 314.29 g/mol
- Monoisotopic mass
- 314.07903816
Overview
Ventinone A is an anthraquinone.
Names & identifiers
- Preferred name
- Ventinone A
- IUPAC
- 1,4,5-trihydroxy-7-methoxy-2,3-dimethylanthracene-9,10-dione
Names & synonyms
Ventinone A1,4,5-trihydroxy-7-methoxy-2,3-dimethylanthracene-9,10-dione73726-67-7C104071,4,5-Trihydroxy-7-methoxy-2,3-dimethylanthraquinoneAC1L9DDNCHEBI:9945SCHEMBL16226194DTXSID00331942Q271085261,4,5-trihydroxy-7-methoxy-2,3-dimethyl-anthracene-9,10-dione
Database identifiers
- CAS
73726-67-7- PubChem CID
- 442767
- DTXSID
DTXSID00331942- ChEBI
CHEBI:9945- Nikkaji
- J2.773.185F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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