alstoyunine A
AlkaPlorer ID: AK133240
Synonym: '', 'Alstoyunine A'
IUPAC Name: (2S,13S,16R,17R,19R,20S,21S)-19-methoxy-21-methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraen-17-ol
Structure
SMILES: CO[C@@H]1O[C@@H](O)[C@@H]2C3C[C@H]4C5=C(C[C@@H]2N4[C@@H](C)[C@H]31)C1=CC=CC=C1N5
InChI: InChI=1S/C20H24N2O3/c1-9-16-12-8-15-18-11(10-5-3-4-6-13(10)21-18)7-14(22(9)15)17(12)19(23)25-20(16)24-2/h3-6,9,12,14-17,19-21,23H,7-8H2,1-2H3/t9-,12?,14-,15-,16+,17+,19+,20+/m0/s1
InChIKey: MCELWEQVMZEFMT-XQZKUMGPSA-N
Reference
Monoterpenoid Indole Alkaloids from <i>Alstonia yunnanensis</i>
PubChem CID: 46882285
LOTUS: LTS0117925
NPASS: NPC469470
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia yunnanensis | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 340.423
TPSA？: 57.72
MolLogP？: 2.4112
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Arachidonate 5-lipoxygenase | Inhibition | 38.36 | % | 10.1021/np900374s |
| Homo sapiens | Cyclooxygenase-1 | Inhibition | 27.76 | % | 10.1021/np900374s |
| Homo sapiens | Cyclooxygenase-2 | Inhibition | 32.14 | % | 10.1021/np900374s |
| Homo sapiens | HL-60 | IC50 | 40000.0 | nM | 10.1021/np900374s |
| Homo sapiens | PANC-1 | IC50 | 40000.0 | nM | 10.1021/np900374s |