3,4,6-Trihydroxy-10-nitro-1-phenanthrenecarboxylic acid; 4-Me ether, Me ester
AlkaPlorer ID: AK316586
Synonym: Methyl 3,6-dihydroxy-4-methoxy-10-nitro-1-phenanthrenecarboxylate, Ariskanin B
IUPAC Name: methyl 3,6-dihydroxy-4-methoxy-10-nitrophenanthrene-1-carboxylate
Structure
SMILES: COC(=O)C1=CC(O)=C(OC)C2=C3C=C(O)C=CC3=CC([N+](=O)[O-])=C12
InChI: InChI=1S/C17H13NO7/c1-24-16-13(20)7-11(17(21)25-2)14-12(18(22)23)5-8-3-4-9(19)6-10(8)15(14)16/h3-7,19-20H,1-2H3
InChIKey: UYWPLYPCKTXCHC-UHFFFAOYSA-N
Reference
Aristolochic acids, aristolactam alkaloids and amides from Aristolochia kankauensis
PubChem CID: 10315388
CAS: 157207-61-9
LOTUS: LTS0148634
SuperNatural Ⅲ: SN0383836
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aristolochia kankauensis | Aristolochia | Aristolochiaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 343.2910000000001
TPSA？: 119.13000000000002
MolLogP？: 3.107600000000001
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|