4H-Naphtho[2, 5,6-dihydroxy-8-methoxy-2,7-dimethyl-
Basic information
- CAS
64894-58-2- Standard SMILES
COc1cc2cc3oc(C)cc(=O)c3c(O)c2c(O)c1C- InChIKey
PMPFXXWLTIMSFY-UHFFFAOYSA-N- Molecular formula
- C16H14O5
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.08412354
Overview
quinquangulin has been reported in Senna obliqua, Senna quinquangulata, and Cassia with data available.
Names & identifiers
- Preferred name
- 4H-Naphtho[2, 5,6-dihydroxy-8-methoxy-2,7-dimethyl-
- IUPAC
- 5,6-dihydroxy-8-methoxy-2,7-dimethylbenzo[g]chromen-4-one
Names & synonyms
SCHEMBL16226550DTXSID50983470NSC277294NSC 277294NSC-277294B803910K0314H-Naphtho[2, 5,6-dihydroxy-8-methoxy-2,7-dimethyl-5,6-Dihydroxy-8-methoxy-2,7-dimethyl-4H-naphtho[2,3-b]pyran-4-one
Database identifiers
- CAS
64894-58-2- PubChem CID
- 100260
- DTXSID
DTXSID50983470- Nikkaji
- J1.608.695I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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