Wairol
Basic information
- CAS
77331-73-8- Standard SMILES
COc1cc(OC)c2c(c1)oc1c3ccc(O)cc3oc(=O)c12- InChIKey
GYNHMEBOILXPQT-UHFFFAOYSA-N- Molecular formula
- C17H12O6
- Average molar mass
- 312.27 g/mol
- Monoisotopic mass
- 312.0633881
Overview
Wairol is a member of coumestans.
Names & identifiers
- Preferred name
- Wairol
- IUPAC
- 3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
Names & synonyms
Wairol3-Hydroxy-7,9-dimethoxycoumestan7-Hydroxy-10,12-dimethoxycoumestan77331-73-86H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3-hydroxy-7,9-dimethoxy-SCHEMBL40084814DTXSID40228069CHEBI:174247LMPK120900313-hydroxy-7,9-dimethoxy-[1]benzouro[3,2-c]chromen-6-one3-Hydroxy-7,9-dimethoxy-6H-[1]benzofuro[3,2-c][1]benzopyran-6-one
Database identifiers
- CAS
77331-73-8- PubChem CID
- 5488650
- DTXSID
DTXSID40228069- ChEBI
CHEBI:174247
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 468
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Coumestan flavonoids [PK1209]
Melting Point292 - 294 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
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Related reactions
0 records
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Compound notes
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