6-[(1E,3E,5E,7E)-8-(3,4-dibromo-1H-pyrrol-2-yl)octa-1,3,5,7-tetraen-1-yl]-4-hydroxy-3-methyl-2H-pyran-2-one

AlkaPlorer ID: AK337283

Synonym: None

IUPAC Name: 6-[(1E,3E,5E,7E)-8-(3,4-dibromo-1H-pyrrol-2-yl)octa-1,3,5,7-tetraenyl]-4-hydroxy-3-methylpyran-2-one

Structure

SMILES: CC1=C(O)C=C(/C=C/C=C/C=C/C=C/C2=C(Br)C(Br)=CN2)OC1=O

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InChI: InChI=1S/C18H15Br2NO3/c1-12-16(22)10-13(24-18(12)23)8-6-4-2-3-5-7-9-15-17(20)14(19)11-21-15/h2-11,21-22H,1H3/b4-2+,5-3+,8-6+,9-7+

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InChIKey: AUUVIHLBAQYUCW-VTXBTNDESA-N

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Source

Properties Information

Molecule Weight: 453.1300000000001

TPSA: 66.22999999999999

MolLogP: 5.345920000000002

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information