UNPD113810
AlkaPlorer ID: AK115558
Synonym: None
IUPAC Name: (E)-2-[(5S,7R,9S)-14-hydroxy-9-methoxy-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraen-7-yl]but-2-enal
Structure
SMILES: C/C=C(/C=O)[C@H]1C[C@H](OC)N2C3=C(CCN(C)[C@H]3C1)C1=CC(O)=CC=C12
InChI: InChI=1S/C21H26N2O3/c1-4-13(12-24)14-9-19-21-16(7-8-22(19)2)17-11-15(25)5-6-18(17)23(21)20(10-14)26-3/h4-6,11-12,14,19-20,25H,7-10H2,1-3H3/b13-4-/t14-,19+,20+/m1/s1
InChIKey: KQIJOWWBWNZTPC-RIOSTHDPSA-N
Reference
New Tertiary Alkaloids of Strychnos decussata
PubChem CID: 44584101
LOTUS: LTS0067208
SuperNatural Ⅲ: SN0192558-03
NPASS: NPC53344
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos decussata | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.4500000000001
TPSA？: 54.7
MolLogP？: 3.576100000000003
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | Activity | 75.0 | mg kg-1 | 10.1021/np50007a007 |
| Mus musculus | Mus musculus | LD50 | 75.0 | mg.kg-1 | 10.1021/np50007a007 |