3,4-Methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Me ester
AlkaPlorer ID: AK306046
Synonym: Aristolochic acid II methyl ester
IUPAC Name: methyl 6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate
Structure
SMILES: COC(=O)C1=CC2=C(OCO2)C2=C3C=CC=CC3=CC([N+](=O)[O-])=C12
InChI: InChI=1S/C17H11NO6/c1-22-17(19)11-7-13-16(24-8-23-13)15-10-5-3-2-4-9(10)6-12(14(11)15)18(20)21/h2-7H,8H2,1H3
InChIKey: RBGIJIJFPKZIDT-UHFFFAOYSA-N
Reference
Constituents from the Stems of<i>Aristolochia</i><i>m</i><i>anshuriensis</i>
PubChem CID: 85790593
CAS: 3580-54-9
LOTUS: LTS0045123
SuperNatural Ⅲ: SN0320724
NPASS: NPC57705
Source
Properties Information
Molecule Weight: 325.27600000000007
TPSA？: 87.9
MolLogP？: 3.416500000000002
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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