alstoyunine F
AlkaPlorer ID: AK041315
Synonym: '(-)-Alstoyunine F', 'Alstoyunine F'
IUPAC Name: [(1R,10S,13R,14R,16S)-14-hydroxy-13-(1-methoxyethyl)-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
Structure
SMILES: COC(C)[C@H]1C2C[C@H]3C4=NC5=CC=CC=C5[C@]45C[C@@H](C2C5OC(C)=O)N3[C@@H]1O
InChI: InChI=1S/C22H26N2O4/c1-10(27-3)17-12-8-15-19-22(13-6-4-5-7-14(13)23-19)9-16(24(15)21(17)26)18(12)20(22)28-11(2)25/h4-7,10,12,15-18,20-21,26H,8-9H2,1-3H3/t10?,12?,15-,16-,17-,18?,20?,21+,22+/m0/s1
InChIKey: XHABFDBTVXEZFH-YNQCBNRXSA-N
Reference
Monoterpenoid Indole Alkaloids from <i>Alstonia yunnanensis</i>
PubChem CID: 46882339
LOTUS: LTS0074820
NPASS: NPC469462
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia yunnanensis | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 382.4600000000001
TPSA？: 71.36
MolLogP？: 2.0179000000000005
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Arachidonate 5-lipoxygenase | Inhibition | 61.82 | % | 10.1021/np900374s |
| Homo sapiens | Cyclooxygenase-1 | Inhibition | 39.82 | % | 10.1021/np900374s |
| Homo sapiens | Cyclooxygenase-2 | Inhibition | 77.18 | % | 10.1021/np900374s |
| Homo sapiens | HL-60 | IC50 | 3890.0 | nM | 10.1021/np900374s |
| Homo sapiens | PANC-1 | IC50 | 21730.0 | nM | 10.1021/np900374s |