Basic information
- CAS
113866-90-3- Standard SMILES
CC(C)=CCC/C(C)=C/Cc1c([C@@H]2CC(=O)c3ccc(O)cc3O2)ccc(O)c1O- InChIKey
RCYMAXCAVMNZBM-NRESZANFSA-N- Molecular formula
- C25H28O5
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.19367399
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 2-[2-(3,7-dimethyl-2,6-octadienyl)-3,4-dihydroxyphenyl]-2,3-dihydro-7-hydroxy-, [S-(E)]-
- IUPAC
- (2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one
Names & synonyms
DTXSID501108098113866-90-34H-1-Benzopyran-4-one, 2-[2-(3,7-dimethyl-2,6-octadienyl)-3,4-dihydroxyphenyl]-2,3-dihydro-7-hydroxy-, [S-(E)]-
Database identifiers
- CAS
113866-90-3- PubChem CID
- 165367372
- DTXSID
DTXSID501108098
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 650
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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