Basic information
- CAS
1242-81-5- Standard SMILES
COc1cc2c(cc1-c1coc3cc4occc4cc3c1=O)OCO2- InChIKey
HTTTWVGBBAOUEM-UHFFFAOYSA-N- Molecular formula
- C19H12O6
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 336.0633881
Overview
Dehydroneotenone is a member of isoflavones.
Names & identifiers
- Preferred name
- Dehydroneotenone
- IUPAC
- 6-(6-methoxy-1,3-benzodioxol-5-yl)furo[3,2-g]chromen-5-one
- English name
- 6-(6-Methoxy-1,3-benzodioxol-5-yl)-5H-furo[3,2-g][1]benzopyran-5-one
- Molecular weight
- 0
Names & synonyms
Dehydroneotenone1242-81-5NEOTENONE, DEHYDRO6-(6-methoxy-1,3-benzodioxol-5-yl)furo[3,2-g]chromen-5-one6-(6-Methoxy-1,3-benzodioxol-5-yl)-5H-furo[3,2-g][1]benzopyran-5-oneNSC-3614155H-Furo(3,2-g)(1)benzopyran-5-one, 6-(6-methoxy-1,3-benzodioxol-5-yl)-5H-Furo[3,2-g][1]benzopyran-5-one, 6-(6-methoxy-1,3-benzodioxol-5-yl)-Neotenone, dehydro-NSC361415NSC 3614158YEV47XE34
Show more names
DTXSID40924756CHEBI:174527LMPK120500676-(6-methoxy-1,3-benzodioxol-5-yl)uro[3,2-g]chromen-5-one6-(6-Methoxy-2H-1,3-benzodioxol-5-yl)-5H-furo[3,2-g][1]benzopyran-5-one
Database identifiers
- CAS
1242-81-5- PubChem CID
- 100751
- DTXSID
DTXSID40924756- ChEBI
CHEBI:174527- UNII
- 8YEV47XE34
- Nikkaji
- J12.493A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 574
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Melting Point240 - 241 °C
Physical DescriptionSolid
Physicochemical properties
- FDA UNII
- 8 YEV47XE34 · 8YEV47XE34
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: Dehydroneotenone is a member of isoflavones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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