(2S,3R,4S,5S,6R)-2-{4-[(8aS)-7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
AlkaPlorer ID: AK179477
Synonym: None
IUPAC Name: (2S,3R,4S,5S,6R)-2-[4-[(8aS)-7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Structure
SMILES: CC1=C(C2=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)CN2CCC[C@H]2C1
InChI: InChI=1S/C21H29NO6/c1-12-9-14-3-2-8-22(14)10-16(12)13-4-6-15(7-5-13)27-21-20(26)19(25)18(24)17(11-23)28-21/h4-7,14,17-21,23-26H,2-3,8-11H2,1H3/t14-,17+,18+,19-,20+,21+/m0/s1
InChIKey: QUYDWYUNUYQKBM-OYQCXUJZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ipomoea alba | Ipomoea | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 391.4640000000002
TPSA？: 102.62
MolLogP？: 0.5068999999999992
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|