3,4,6,8-Tetrahydroxy-10-nitro-1-phenanthrenecarboxylic acid; 3,4-Methylene ether

AlkaPlorer ID: AK315588

Synonym: 8,10-Dihydroxy-6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 6,8-Dihydroxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid, Aristolochic acid G 

IUPAC Name: 8,10-dihydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid

Structure

SMILES: O=C(O)C1=CC2=C(OCO2)C2=C3C=C(O)C=C(O)C3=CC([N+](=O)[O-])=C12

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InChI: InChI=1S/C16H9NO8/c18-6-1-8-7(11(19)2-6)3-10(17(22)23)13-9(16(20)21)4-12-15(14(8)13)25-5-24-12/h1-4,18-19H,5H2,(H,20,21)

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InChIKey: RGAHJXZSRGWIHO-UHFFFAOYSA-N

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Reference

PubChem CID: 46872932

CAS: 85814-29-5

SuperNatural Ⅲ: SN0324329

Source

Properties Information

Molecule Weight: 343.2470000000001

TPSA: 139.36

MolLogP: 2.7393

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information