4-Methoxydalbergione
Basic information
- CAS
28396-75-0- Standard SMILES
C=CC(C1=CC(=O)C(OC)=CC1=O)c1ccccc1- InChIKey
RGSUZUQISVAJJF-UHFFFAOYSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.0942943
Overview
4''-methoxydalbergione has been reported in Dalbergia nigra, Dalbergia riparia, and other organisms with data available.
Names & identifiers
- Preferred name
- 4-Methoxydalbergione
- IUPAC
- 2-methoxy-5-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione
- English name
- 4-methoxydalbergione
- Molecular formula
- C16H14O3
- Molecular weight
- 254.28056
Names & synonyms
4-Methoxydalbergione28396-75-02-Methoxy-5-(1-phenylallyl)-4-benzoquinone2-Methoxy-5-(1-phenylallyl)-p-benzoquinoneDTXSID2013151492-methoxy-5-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dioneRefChem:99641DTXCID50964406NSC269121NSC629750NSC 269121NSC-269121
Show more names
DALBERGIONESR,S-4-METHOXY-DALBERGIONE
Spectrum_001081SpecPlus_000079Spectrum2_000654Spectrum3_000201Spectrum4_000941Spectrum5_001903BSPBio_001781KBioGR_001522
Database identifiers
- CAS
28396-75-0- PubChem CID
- 99926
- DTXSID
DTXSID201315149- ChEMBL
CHEMBL1554531- Nikkaji
- J937.228H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 451
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…