6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium
AlkaPlorer ID: AK016328
Synonym: None
IUPAC Name: 4-[2-[4-(hydroxymethyl)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-2-yl]ethyl]phenol
Structure
SMILES: CC1CCC2=C1C=[N+](CCC1=CC=C(O)C=C1)C=C2CO
InChI: InChI=1S/C18H21NO2/c1-13-2-7-17-15(12-20)10-19(11-18(13)17)9-8-14-3-5-16(21)6-4-14/h3-6,10-11,13,20H,2,7-9,12H2,1H3/p+1
InChIKey: XLWXLZKPQFKGJS-UHFFFAOYSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Valeriana officinalis | Valeriana | Caprifoliaceae | Dipsacales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 284.379
TPSA？: 44.34
MolLogP？: 2.464400000000001
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|