Basic information
- CAS
90985-58-3- Standard SMILES
COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(C)c(O)c1O)C2=O- InChIKey
VUVVKGDLHYXJFW-UHFFFAOYSA-N- Molecular formula
- C18H16O7
- Average molar mass
- 344.3 g/mol
- Monoisotopic mass
- 344.08960285
Overview
1,2-Dihydroxy-6,7,8-trimethoxy-3-methylanthracene-9,10-dione has been reported in Senna obtusifolia with data available.
Names & identifiers
- Preferred name
- 1,2-Dihydroxy-6,7,8-trimethoxy-3-methylanthracene-9,10-dione
- IUPAC
- 1,2-dihydroxy-6,7,8-trimethoxy-3-methylanthracene-9,10-dione
Names & synonyms
90985-58-31,2-Dihydroxy-6,7,8-trimethoxy-3-methylanthracene-9,10-dioneDTXSID50546428RefChem:71936DTXCID804972121-demethylchryso-obtusin1-desmethylchryso-obtusinSCHEMBL162266761,2-dihydroxy-6,7 ,8-trimethoxy-3-methylanth raquinone
Database identifiers
- CAS
90985-58-3- PubChem CID
- 13675111
- DTXSID
DTXSID50546428- Nikkaji
- J2.474.291A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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