Abyssinone I
Basic information
- CAS
1184961-91-8- Standard SMILES
CC1(C)C=Cc2cc([C@@H]3CC(=O)c4ccc(O)cc4O3)ccc2O1- InChIKey
MITHUEHYZARDCT-SFHVURJKSA-N- Molecular formula
- C20H18O4
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.12050905
Overview
Abyssinone I is a monohydroxyflavanone that is (2S)-2',2'-dimethyl-2,3-dihydro-2'H,4H-2,6'-bichromen-4-one carrying a hydroxy substituent at position 7. It has a role as an apoptosis inhibitor and a plant metabolite. It is a member of phenols and a monohydroxyflavanone. It derives from a hydride of a 2H-chromene.
Names & identifiers
- Preferred name
- Abyssinone I
- IUPAC
- (2S)-2-(2,2-dimethylchromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one
Names & synonyms
Abyssinone I77263-07-1(2S)-2-(2,2-dimethylchromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-oneCHEBI:2367DTXSID503317502-(2',2'-dimethyl chrom-3'-en-6'-yl)-7-hydroxy chroman-4-oneRefChem:108594DTXCID00282844C09318CHEMBL455626SCHEMBL29369816LMPK12140050
Show more names
Q271056427-Hydroxy-6'',6''-dimethylpyrano[2",3":4',3']flavanone(2S)-7-hydroxy-2',2'-dimethyl-2,3-dihydro-2'H,4H-2,6'-bichromen-4-one(2S)-7-Hydroxy-2',2'-dimethyl-2,3-dihydro-2'H,4H-[2,6'-bi-1-benzopyran]-4-one
Database identifiers
- CAS
1184961-91-8、77263-07-1- PubChem CID
- 442152
- DTXSID
DTXSID50331750- ChEMBL
CHEMBL455626- ChEBI
CHEBI:2367
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 526
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]
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Compound notes
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