Basic information
- Standard SMILES
CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)cc3O2)cc2c1OC(C)(C)C=C2- InChIKey
BWSXMPVDLMJKKY-QFIPXVFZSA-N- Molecular formula
- C25H26O4
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.18310931
Overview
Abyssinones Iii has been reported in Erythrina mildbraedii, Erythrina abyssinica, and Glycyrrhiza inflata with data available.
Names & identifiers
- Preferred name
- Abyssinones Iii
- IUPAC
- (2S)-2-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-7-hydroxy-2,3-dihydrochromen-4-one
Names & synonyms
Abyssinones Iii(2S)-2-(2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one(2S)-2-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-7-hydroxy-2,3-dihydrochromen-4-oneRefChem:108599CHEMBL454077SCHEMBL12672566BDBM50349925
Database identifiers
- ChEMBL
CHEMBL454077
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 674
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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