Basic information
- CAS
10091-02-8- Standard SMILES
COc1cc2c(cc1C1COc3cc4occc4cc3C1=O)OCO2- InChIKey
JZNIBAUSQWDFGE-UHFFFAOYSA-N- Molecular formula
- C19H14O6
- Average molar mass
- 338.3 g/mol
- Monoisotopic mass
- 338.07903816
Names & identifiers
- Preferred name
- Neotenone
- IUPAC
- 6-(6-methoxy-1,3-benzodioxol-5-yl)-6,7-dihydrofuro[3,2-g]chromen-5-one
- English name
- 6,7-Dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-5H-furo[3,2-g][1]benzopyran-5-one
- Molecular formula
- C19H14O6
- Molecular weight
- 338.31
Names & synonyms
Neotenone10091-02-8Neorautenone6-(6-methoxy-1,3-benzodioxol-5-yl)-6,7-dihydrofuro[3,2-g]chromen-5-oneNSC361413D08G5O2Y2W6,7-Dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-5H-furo[3,2-g][1]benzopyran-5-oneNSC-3614135H-Furo(3,2-g)(1)benzopyran-5-one, 6,7-dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-5H-Furo[3,2-g][1]benzopyran-5-one, 6,7-dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-6,7-Dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-5H-furo(3,2-g)(1)benzopyran-5-oneNSC 361413
Show more names
neo-Rautenone
UNII-D08G5O2Y2WCHEMBL1988403SCHEMBL29804577LMPK120504546,7-Dihydro-6-(2-methoxy-4,5-methylenedioxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-oneNCI60_0032945H-FURO(3,2-G)(1)BENZOPYRAN-5-ONE, 6,7-DIHYDRO-6-(2-METHOXY-4,5-(METHYLENEDIOXY)PHENYL)-
Database identifiers
- CAS
10091-02-8- PubChem CID
- 73603
- ChEMBL
CHEMBL1988403- UNII
- D08G5O2Y2W
- Nikkaji
- J53.050F
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 524
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Physicochemical properties
- Boiling point
- 498.1 · 498.1±45.0 °C(Predicted)
- Density
- 1.409 · 1.409±0.06 g/cm3(Predicted)
- FDA UNII
- 8 G5O2Y2W · D08G5O2Y2W
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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