Piscerythramine
Basic information
- CAS
132923-36-5- Standard SMILES
COc1c(N)c(O)c(CC=C(C)C)c(-c2coc3cc(O)cc(O)c3c2=O)c1CC=C(C)C- InChIKey
FZVQFYVMVHEMPU-UHFFFAOYSA-N- Molecular formula
- C26H29NO6
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.19948764
Overview
Piscerythramine is a hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7 and 3', prenyl groups at positions 2' and 6', a methoxy group at position 5' and an amino group at position 4'. It has a role as a plant metabolite. It is a hydroxyisoflavone, a methoxyisoflavone and a substituted aniline. It is functionally related to an isoflavone.
Names & identifiers
- Preferred name
- Piscerythramine
- IUPAC
- 3-[4-amino-3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
Names & synonyms
Piscerythramine132923-36-53-[4-amino-3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one4'-Amino-5,7,3'-trihydroxy-5'-methoxy-2',6'-diprenylisoflavone3-[4-amino-3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-oneCHEBI:8251DTXSID40415194LMPK12050157Q27108015
Database identifiers
- CAS
132923-36-5- PubChem CID
- 5281802
- DTXSID
DTXSID40415194- ChEBI
CHEBI:8251- Nikkaji
- J2.773.269K
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 797
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
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Related reactions
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Compound notes
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