Ammonificin A

AlkaPlorer ID: AK287705

Synonym: None

IUPAC Name: 8-(2-amino-1-hydroxyethyl)-4-(3-bromo-4-hydroxyphenyl)-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(O)C(Br)=C1

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InChI: InChI=1S/C23H22BrNO6/c24-16-8-12(4-6-17(16)27)21-20(31-14-3-1-2-13(26)9-14)11-30-23-15(19(29)10-25)5-7-18(28)22(21)23/h1-9,19-21,26-29H,10-11,25H2

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InChIKey: FLXXHDISQKOVSO-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 488.33400000000006

TPSA: 125.40000000000002

MolLogP: 3.5299000000000014

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information