3-Isoantirhine
AlkaPlorer ID: AK004522
Synonym: None
IUPAC Name: (2R)-2-[(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]but-3-en-1-ol
Structure
SMILES: C=C[C@@H](CO)[C@H]1CCN2CCC3=C([C@H]2C1)NC4=CC=CC=C34
InChI: InChI=1S/C19H24N2O/c1-2-13(12-22)14-7-9-21-10-8-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14-,18+/m0/s1
InChIKey: RYMNVEAAYOFGCI-SUNYJGFJSA-N
Reference
PubChem CID: 5491661
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia scholaris | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 296.414
TPSA？: 39.26
MolLogP？: 3.271600000000001
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|