2-{2-[5-ethyl-4-(2-hydroxyethyl)-1-methylpiperidin-2-yl]-1H-indol-3-yl}ethan-1-ol
AlkaPlorer ID: AK406935
Synonym: None
IUPAC Name: 2-[(2S,4R,5R)-5-ethyl-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1-methylpiperidin-4-yl]ethanol
Structure
SMILES: CC[C@H]1CN(C)[C@H](C2=C(CCO)C3=CC=CC=C3N2)C[C@@H]1CCO
InChI: InChI=1S/C20H30N2O2/c1-3-14-13-22(2)19(12-15(14)8-10-23)20-17(9-11-24)16-6-4-5-7-18(16)21-20/h4-7,14-15,19,21,23-24H,3,8-13H2,1-2H3/t14-,15-,19-/m0/s1
InChIKey: HZMFGUSSYMUJTR-DOXZYTNZSA-N
Reference
Guettardine, a possible biogenetic intermediate in the formation of corynanthe-cinchona alkaloids
PubChem CID: 14659188
LOTUS: LTS0026597
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Guettarda heterosepala | Guettarda | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 330.4720000000001
TPSA？: 59.49
MolLogP？: 3.104100000000001
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|