1,2,6,7-Tetrahydroxy-3-(hydroxymethyl)-1H-pyrrolizidine; (1R,2R,3R,6S,7S,7aR)-form, 6-O-α-D-Glucopyranoside
AlkaPlorer ID: AK315576
Synonym: Casuarine 6-α-D-glucoside
IUPAC Name: 3-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
Structure
SMILES: OCC1OC(OC2CN3C(CO)C(O)C(O)C3C2O)C(O)C(O)C1O
InChI: InChI=1S/C14H25NO10/c16-2-4-8(18)11(21)7-9(19)5(1-15(4)7)24-14-13(23)12(22)10(20)6(3-17)25-14/h4-14,16-23H,1-3H2
InChIKey: KQYACACELNVFOY-UHFFFAOYSA-N
Reference
Targeting Alzheimer’s disease: Novel indanone hybrids bearing a pharmacophoric fragment of AP2238
PubChem CID: 67340977
CAS: 186795-20-0
COCONUT: CNP0309879.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Casuarina equisetifolia | Casuarina | Casuarinaceae | Fagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Eugenia | Myrtaceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 367.35100000000006
TPSA？: 183.54
MolLogP？: -5.687099999999991
Number of H-Donors: 8
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|