Pericalline
AlkaPlorer ID: AK098519
Synonym: None
IUPAC Name: (13S,14E)-14-ethylidene-12-methylidene-1,8-diazatetracyclo[11.2.2.03,11.05,9]heptadeca-3(11),4,6,9-tetraene
Structure
SMILES: C=C1C2=C(C=C3C=CNC3=C2)CN2CC[C@@H]1/C(=C\C)C2
InChI: InChI=1S/C18H20N2/c1-3-13-10-20-7-5-16(13)12(2)17-9-18-14(4-6-19-18)8-15(17)11-20/h3-4,6,8-9,16,19H,2,5,7,10-11H2,1H3/b13-3-/t16-/m0/s1
InChIKey: YBWKMVPRGFJPHD-LELDJUSMSA-N
Reference
Identity of Pericalline, Tabernoschizine, Apparicine, and Gomezine
PubChem CID: 6436240
CAS: 3463-93-2
LOTUS: LTS0268224
NPASS: NPC90723
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Adonis amurensis | Adonis | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Cynanchum rostellatum | Cynanchum | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Catharanthus roseus | Catharanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 264.372
TPSA？: 19.03
MolLogP？: 3.962900000000002
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 reverse transcriptase | IC50 | 200.0 | ug.mL-1 | 10.1021/np50073a012 |