Blxa4
(E,5S,6R)-5,6-dihydroxy-8-[2-[(E,3R)-3-hydroxyoct-1-enyl]phenyl]oct-7-enoic acid
Molecular Identity
Blxa4
(E,5S,6R)-5,6-dihydroxy-8-[2-[(E,3R)-3-hydroxyoct-1-enyl]phenyl]oct-7-enoic acid
PubChem CID: 58185197
2D Structure
Properties
C22H32O5
Molecular Formula
376.50
Molecular Weight
g/mol
376.2250
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
98
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
460
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCC(C=CC1=CC=CC=C1C=CC(C(CCCC(=O)O)O)O)OIsomeric SMILES
SMILES: CCCCC[C@H](/C=C/C1=CC=CC=C1/C=C/[C@H]([C@H](CCCC(=O)O)O)O)OSynonyms(18)
BLXA4Benzo-lipoxin A4Benzo-LXA4Benzo-LXA-4LXE89WJ7877-Octenoic acid, 5,6-dihydroxy-8-(2-((1E,3R)-3-hydroxy-1-octenyl)phenyl)-, (5S,6R,7E)-864516-86-97-Octenoic acid, 5,6-dihydroxy-8-(2-((1E,3R)-3-hydroxy-1-octen-1-yl)phenyl)-, (5S,6R,7E)-RefChem:120668(5S,6R,7E)-5,6-dihydroxy-8-(2-((1E,3R)-3-hydroxyoct-1-en-1-yl)phenyl)oct-7-enoic acidBLXA-4UNII-LXE89WJ787CHEMBL4297266SCHEMBL10000537SCHEMBL29563817
Data from PubChem (NCBI)
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Drug Network
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