Ammonificin A; 4'-Deoxy, 4'-bromo

AlkaPlorer ID: AK287706

Synonym: Ammonificin B

IUPAC Name: 8-(2-amino-1-hydroxyethyl)-4-(3,4-dibromophenyl)-3-(3-hydroxyphenoxy)-3,4-dihydro-2H-chromen-5-ol

Structure

SMILES: NCC(O)C1=CC=C(O)C2=C1OCC(OC1=CC=CC(O)=C1)C2C1=CC=C(Br)C(Br)=C1

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InChI: InChI=1S/C23H21Br2NO5/c24-16-6-4-12(8-17(16)25)21-20(31-14-3-1-2-13(27)9-14)11-30-23-15(19(29)10-26)5-7-18(28)22(21)23/h1-9,19-21,27-29H,10-11,26H2

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InChIKey: RXHDLZKGVZUGQS-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 551.231

TPSA: 105.17000000000002

MolLogP: 4.586800000000002

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information