5,6-Benzoarachidonic acid
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Basic information
- CAS
85924-33-0- Standard SMILES
CCCCC/C=C\C/C=C\C/C=C\Cc1ccccc1CCCC(=O)O- InChIKey
SCEMGBQAHRNYRD-QNEBEIHSSA-N- Molecular formula
- C24H34O2
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.25588032
Overview
inhibits the activity of lipoxygenase from intact human polymorphonuclear leukocytes; RN & structure from first source; RN not in Chemline 8/83
Names & identifiers
- Preferred name
- 5,6-Benzoarachidonic acid
- IUPAC
- 4-[2-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]phenyl]butanoic acid
- English name
- 4-[2-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]phenyl]butanoic acid
- Molecular formula
- C24H34O2
- Molecular weight
- 354.53
Names & synonyms
5,6-Benzoarachidonic acid85924-33-0RefChem:101123Benzenebutanoic acid, 2-(2,5,8-tetradecatrienyl)-, (Z,Z,Z)-4-[2-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]phenyl]butanoic acidCHEMBL12184SCHEMBL31076118SCHEMBL41951695SCHEMBL41951714SCHEMBL41951724Benzenebutanoic acid, 2-(2,5,8-tetradecatrienyl)-, (Z,Z,Z)- (9CI)
Database identifiers
- CAS
85924-33-0- PubChem CID
- 6439723
- ChEMBL
CHEMBL12184
Properties
Computed structural propertiesFilling in
- XLogP
- 7.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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