Alstoumerine oxindole
AlkaPlorer ID: AK000165
Synonym: None
IUPAC Name: (1R,2R,3S,5S,6S)-9-[(1S)-1-hydroxyethyl]-2-(hydroxymethyl)-1'-methylspiro[7-azatricyclo[4.3.1.03,7]dec-8-ene-5,3'-indole]-2'-one;hydrate
Structure
SMILES: C[C@@H](C1=CN2[C@H]3C[C@@H]1[C@H]([C@@H]2C[C@]34C5=CC=CC=C5N(C4=O)C)CO)O.O
InChI: InChI=1S/C20H24N2O3.H2O/c1-11(24)13-9-22-17-8-20(18(22)7-12(13)14(17)10-23)15-5-3-4-6-16(15)21(2)19(20)25;/h3-6,9,11-12,14,17-18,23-24H,7-8,10H2,1-2H3;1H2/t11-,12-,14+,17-,18-,20-;/m0./s1
InChIKey: ZJUBKRWOBDKWET-MESPSREYSA-N
Reference
PubChem CID: 139044238
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia angustifolia | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 358.43800000000016
TPSA？: 95.51
MolLogP？: 0.4256999999999998
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|