Alstoyunine H
AlkaPlorer ID: AK073823
Synonym: None
IUPAC Name: methyl (1R,12S,13R,14R,19R)-14-chloro-12-ethyl-13-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate
Structure
SMILES: CC[C@@]12CC(C(=O)OC)=C3NC4=C(C=CC(OC)=C4)[C@@]34CCN(C[C@@H](Cl)[C@@H]1O)[C@@H]24
InChI: InChI=1S/C22H27ClN2O4/c1-4-21-10-13(19(27)29-3)17-22(14-6-5-12(28-2)9-16(14)24-17)7-8-25(20(21)22)11-15(23)18(21)26/h5-6,9,15,18,20,24,26H,4,7-8,10-11H2,1-3H3/t15-,18+,20+,21-,22+/m1/s1
InChIKey: FFFMVXSVOMZOKB-AFDQJQDHSA-N
Reference
Monoterpenoid Indole Alkaloids from <i>Alstonia yunnanensis</i>
PubChem CID: 44557569
LOTUS: LTS0064675
SuperNatural Ⅲ: SN0084112-01
NPASS: NPC189661
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia yunnanensis | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 418.9210000000001
TPSA？: 71.03
MolLogP？: 2.6419000000000006
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Arachidonate 5-lipoxygenase | Inhibition | 0.84 | % | 10.1021/np900374s |
| Homo sapiens | Cyclooxygenase-1 | Inhibition | 0.0 | % | 10.1021/np900374s |
| Homo sapiens | Cyclooxygenase-2 | Inhibition | 0.0 | % | 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 |