Aristoyunnolin A
AlkaPlorer ID: AK319417
Synonym: None
IUPAC Name: (1R,4S,5S,8R,9S,12R)-12-hydroxy-5-methyl-4-nitro-8-prop-1-en-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-11-one
Structure
SMILES: C=C(C)[C@H]1CC[C@]2(C)[C@@H]([N+](=O)[O-])CC[C@@]23C(=O)O[C@@H]1[C@@H]3O
InChI: InChI=1S/C15H21NO5/c1-8(2)9-4-6-14(3)10(16(19)20)5-7-15(14)12(17)11(9)21-13(15)18/h9-12,17H,1,4-7H2,2-3H3/t9-,10+,11+,12+,14-,15-/m1/s1
InChIKey: SGPNKIWFJILCCC-YRLDTQBMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aristolochia yunnanensis | Aristolochia | Aristolochiaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 295.3349999999999
TPSA？: 89.67
MolLogP？: 1.6906
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | c-Jun N-terminal kinase, JNK | Inhibition | None | % | 10.1021/np300887d |
| Homo sapiens | MAP kinase p38 | Inhibition | None | % | 10.1021/np300887d |
| Homo sapiens | Mitogen-activated protein kinase; ERK1/ERK2 | Inhibition | None | % | 10.1021/np300887d |