158182-29-7

AlkaPlorer ID: AK059509

Synonym: None

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

Structure

SMILES: CC1=C(O)C=C(C=CC=CC=CC=CC2=C(Br)C=CN2)OC1=O

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InChI: InChI=1S/C18H16BrNO3/c1-13-17(21)12-14(23-18(13)22)8-6-4-2-3-5-7-9-16-15(19)10-11-20-16/h2-12,20-21H,1H3

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InChIKey: YRKNYVNNZAWSJE-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 374.2340000000001

TPSA: 66.22999999999999

MolLogP: 4.583420000000003

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