3,4,8-Trihydroxy-10-nitro-1-phenanthrenecarboxylic acid; Tri-Me ether, Me ester
AlkaPlorer ID: AK316599
Synonym: Methyl 3,4,8-trimethoxy-10-nitro-1-phenanthrenecarboxylate, Ariskanin E
IUPAC Name: methyl 3,4,8-trimethoxy-10-nitrophenanthrene-1-carboxylate
Structure
SMILES: COC(=O)C1=CC(OC)=C(OC)C2=C3C=CC=C(OC)C3=CC([N+](=O)[O-])=C12
InChI: InChI=1S/C19H17NO7/c1-24-14-7-5-6-10-11(14)8-13(20(22)23)16-12(19(21)27-4)9-15(25-2)18(26-3)17(10)16/h5-9H,1-4H3
InChIKey: NPCMWYJIIQNJFR-UHFFFAOYSA-N
Reference
Aristolochic acids, aristolactam alkaloids and amides from Aristolochia kankauensis
PubChem CID: 10339181
CAS: 157207-64-2
LOTUS: LTS0200217
SuperNatural Ⅲ: SN0251547
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aristolochia kankauensis | Aristolochia | Aristolochiaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 371.34500000000014
TPSA？: 97.13
MolLogP？: 3.713600000000003
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|