3,4,7,8-Tetrahydroxy-10-nitro-1-phenanthrenecarboxylic acid; 3,4-Methylene, 7,8-di-Me ether

AlkaPlorer ID: AK315592

Synonym: 7,8-Dimethoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid, 8,9-Dimethoxy-6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 7-Methoxyaristolochic acid A, Aristolochic acid VII 

IUPAC Name: None

Structure

SMILES: COC1=CC=C2C(=C1OC)C=C([N+](=O)[O-])C1=C(C(=O)[O-])C=C3OCOC3=C12

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InChI: InChI=1S/C18H13NO8/c1-24-12-4-3-8-9(16(12)25-2)5-11(19(22)23)14-10(18(20)21)6-13-17(15(8)14)27-7-26-13/h3-6H,7H2,1-2H3,(H,20,21)/p-1

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InChIKey: MGDVQIQTGYINCS-UHFFFAOYSA-M

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Reference

CAS: 79185-74-3

SuperNatural Ⅲ: SN0224770

NPASS: NPC277932

Properties Information

Molecule Weight: 370.2930000000002

TPSA: 120.19

MolLogP: 2.0106

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information