Murayalactone
Basic information
- CAS
157536-36-2- Standard SMILES
CCCC(=O)c1cc2c(c(O)c1C)c(=O)oc1c(O)cccc12- InChIKey
CLNKOMAKOKTKNT-UHFFFAOYSA-N- Molecular formula
- C18H16O5
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 312.09977361
Overview
Murayalactone is a member of coumarins.
Names & identifiers
- Preferred name
- Murayalactone
- IUPAC
- 9-butanoyl-4,7-dihydroxy-8-methylbenzo[c]chromen-6-one
- English name
- murayalactone
- Molecular formula
- C18H16O5
- Molecular weight
- 312.32
Names & synonyms
Murayalactone157536-36-29-butanoyl-4,7-dihydroxy-8-methylbenzo[c]chromen-6-oneDTXSID201662789-butanoyl-4,7-dihydroxy-8-methylbenzo(c)chromen-6-oneRefChem:160088DTXCID40887699-Butyryl-4,7-dihydroxy-8-methyl-6H-benzo[c]chromen-6-oneCHEBI:2114484,7-Dihydroxy-8-methyl-9-(1-oxobutyl)-6H-dibenzo(b,d)pyran-6-one9-Butanoyl-4,7-dihydroxy-8-methyl-6H-dibenzo[b,d]pyran-6-one6H-Dibenzo(b,d)pyran-6-one, 4,7-dihydroxy-8-methyl-9-(1-oxobutyl)-
Show more names
6H-Dibenzo[b,d]pyran-6-one, 4,7-dihydroxy-8-methyl-9-(1-oxobutyl)-
Database identifiers
- CAS
157536-36-2- PubChem CID
- 5488702
- DTXSID
DTXSID20166278- ChEBI
CHEBI:211448- Nikkaji
- J607.692K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
Chemistry & industry
Applications
DescriptionMurayalactone is a dibenzo-alpha-pyrone from Streptomyces murayamaensis.
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Compound notes
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