3,4,7-Trihydroxy-10-nitro-1-phenanthrenecarboxylic acid; 3,4-Methylene ether

AlkaPlorer ID: AK316592

Synonym: 7-Hydroxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid, Aristolochic acid F

IUPAC Name: 9-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid

Structure

SMILES: O=C(O)C1=CC2=C(OCO2)C2=C1C([N+](=O)[O-])=CC1=CC(O)=CC=C12

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InChI: InChI=1S/C16H9NO7/c18-8-1-2-9-7(3-8)4-11(17(21)22)13-10(16(19)20)5-12-15(14(9)13)24-6-23-12/h1-5,18H,6H2,(H,19,20)

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InChIKey: BWNOCXWHNUKJRI-UHFFFAOYSA-N

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Reference

PubChem CID: 46872931

CAS: 1332305-07-3

Source

Properties Information

Molecule Weight: 327.24800000000005

TPSA: 119.13

MolLogP: 3.0337000000000005

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information