Alectosarmentin
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Basic information
- CAS
158599-52-1- Standard SMILES
Cc1cc(O)cc2oc3cc(O)c4c(c3c12)C(O)OC4=O- InChIKey
TVKXCLQORLILDK-UHFFFAOYSA-N- Molecular formula
- C15H10O6
- Average molar mass
- 286.24 g/mol
- Monoisotopic mass
- 286.04773803
Overview
from lichen, Alectoria sarmentosa; structure given in first source
Names & identifiers
- Preferred name
- Alectosarmentin
- IUPAC
- 1,4,8-trihydroxy-10-methyl-1H-[2]benzofuro[5,4-b][1]benzofuran-3-one
- English name
- alectosarmentin
- Molecular formula
- C15H10O6
- Molecular weight
- 286.24
Names & synonyms
Alectosarmentin158599-52-11,4,8-trihydroxy-10-methyl-1H-[2]benzofuro[5,4-b][1]benzofuran-3-one1,4,8-trihydroxy-10-methyl-1H-(2)benzofuro(5,4-b)(1)benzofuran-3-oneRefChem:110655Isobenzofuro05,4-b)benzofuran-3(1H)-one, 1,4,8-trihydroxy-10-methyl-Isobenzofuro(5,4-b)benzofuran-3(1H)-one, 1,4,8-trihydroxy-10-methyl-CHEMBL460225DTXSID309359521,4,8-Trihydroxy-10-methylbenzo[d]benzo[1,2-b:3,4-c']difuran-3(1H)-oneIsobenzofuro[5,4-b]benzofuran-3(1H)-one, 1,4,8-trihydroxy-10-methyl- (9CI)
Database identifiers
- CAS
158599-52-1- PubChem CID
- 190922
- DTXSID
DTXSID30935952- ChEMBL
CHEMBL460225- Nikkaji
- J608.210F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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