Mammea B/BA
Basic information
- CAS
521-38-0- Standard SMILES
CCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c(CC=C(C)C)c(O)c12- InChIKey
LYJWLIYDNZREPC-UHFFFAOYSA-N- Molecular formula
- C22H28O5
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.19367399
Overview
Mammea B/BA is a hydroxycoumarin. It has a role as a metabolite.
Names & identifiers
- Preferred name
- Mammea B/BA
- IUPAC
- 5,7-dihydroxy-8-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)-4-propylchromen-2-one
- English name
- 4-Propyl-5,7-dihydroxy-6-(3-methyl-2-butenyl)-8-(3-methylbutyryl)-2H-1-benzopyran-2-one
- Molecular formula
- C22H28O5
- Molecular weight
- 372.45
Names & synonyms
Mammea B/BAMammein521-38-04-n-Propyl-5,7-dihydroxy-6-isopentenyl-8-isovalerylcoumarinDTXSID902000975,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-8-(3-methylbutanoyl)-4-propyl-2H-chromen-2-oneRefChem:925254DTXCID901225885,7-dihydroxy-6-(3-methyl-2-butenyl)-8-(3-methyl-1-oxobutyl)-4-propyl-2H-1-benzo pyran-2-oneFerruol B5,7-dihydroxy-8-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)-4-propylchromen-2-oneorb3178827
Show more names
4-Propyl-5,7-dihydroxy-6-(3-methyl-2-butenyl)-8-(3-methylbutyryl)-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-8-(3-methyl-1-oxobutyl)-4-propyl-
CHEMBL1689183SCHEMBL29520661CHEBI:69988NSC781049NSC-781049TN124365,7-Dihydroxy-6-(3-methyl-2-butenyl)-8-(3-methyl-1-oxobutyl)-4-propyl-2H-1-benzopyran-2-oneQ27138332
Database identifiers
- CAS
521-38-0- PubChem CID
- 5489487
- DTXSID
DTXSID90200097- ChEMBL
CHEMBL1689183- ChEBI
CHEBI:69988- Nikkaji
- J11.811G
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 614
Experimental & physicochemical properties
Melting Point127 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: A natural product found in Mammea americana.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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