3,4,8-Trihydroxy-10-nitro-1-phenanthrenecarboxylic acid; 3,4-Methylene ether, Me ester
AlkaPlorer ID: AK316596
Synonym: Aristolochic acid Ia methyl ester
IUPAC Name: methyl 8-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate
Structure
SMILES: COC(=O)C1=CC2=C(OCO2)C2=C3C=CC=C(O)C3=CC([N+](=O)[O-])=C12
InChI: InChI=1S/C17H11NO7/c1-23-17(20)10-6-13-16(25-7-24-13)15-8-3-2-4-12(19)9(8)5-11(14(10)15)18(21)22/h2-6,19H,7H2,1H3
InChIKey: MUTBBTONMCXTLD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aristolochia kaempferi | Aristolochia | Aristolochiaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.2750000000001
TPSA？: 108.13000000000002
MolLogP？: 3.122100000000001
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|