(5E)-5-ethylidene-4-methoxy-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.1²,?.0?,¹?.0¹³,¹?]icosa-12(19),13,15,17-tetraen-15-ol
AlkaPlorer ID: AK143489
Synonym: None
IUPAC Name: (2R,4S,5E,6R,8S)-5-ethylidene-4-methoxy-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.12,6.08,19.013,18]icosa-12(19),13(18),14,16-tetraen-15-ol
Structure
SMILES: C/C=C1\[C@@H]2C[C@H]3C4=C(CCN3C)C3=CC(O)=CC=C3N4[C@@H](C2)O[C@@H]1OC
InChI: InChI=1S/C21H26N2O3/c1-4-14-12-9-18-20-15(7-8-22(18)2)16-11-13(24)5-6-17(16)23(20)19(10-12)26-21(14)25-3/h4-6,11-12,18-19,21,24H,7-10H2,1-3H3/b14-4+/t12-,18+,19-,21+/m1/s1
InChIKey: GNHJRZWCDXRDDL-HSQPBGLJSA-N
Reference
New Tertiary Alkaloids of Strychnos decussata
PubChem CID: 44584097
LOTUS: LTS0156211
NPASS: NPC475841
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？: 46.86
MolLogP？: 3.733500000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | Activity | 80.0 | mg kg-1 | 10.1021/np50007a007 |
| Mus musculus | Mus musculus | LD50 | 90.0 | mg.kg-1 | 10.1021/np50007a007 |