4',7-Dihydroxyisoflavone; 3'-Nitro

AlkaPlorer ID: AK296259

Synonym: 4',7-Dihydroxy-3'-nitroisoflavone, 3'-Nitrodaidzein, K3-D3 

IUPAC Name: 7-hydroxy-3-(4-hydroxy-3-nitrophenyl)chromen-4-one

Structure

SMILES: O=C1C(C2=CC=C(O)C([N+](=O)[O-])=C2)=COC2=CC(O)=CC=C12

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InChI: InChI=1S/C15H9NO6/c17-9-2-3-10-14(6-9)22-7-11(15(10)19)8-1-4-13(18)12(5-8)16(20)21/h1-7,17-18H

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InChIKey: AYEJQKGKLYNAMP-UHFFFAOYSA-N

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Reference

PubChem CID: 5324398

CAS: 198644-94-9

Properties Information

Molecule Weight: 299.238

TPSA: 113.81

MolLogP: 2.7794000000000008

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information