8-Azabicyclo[3.2.1]octane-1,3,4-triol; (1R*,3S*,4S*)-form
AlkaPlorer ID: AK289910
Synonym: Calystegine A5
IUPAC Name: 8-azabicyclo[3.2.1]octane-1,3,4-triol
Structure
SMILES: OC1CC2(O)CCC(N2)C1O
InChI: InChI=1S/C7H13NO3/c9-5-3-7(11)2-1-4(8-7)6(5)10/h4-6,8-11H,1-3H2
InChIKey: AXSWEYXUHSNDLV-UHFFFAOYSA-N
Reference
Calystegine alkaloids from Duboisia leichhardtii
PubChem CID: 75093330
CAS: 165905-26-0
LOTUS: LTS0132946
COCONUT: CNP0238672.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hyoscyamus niger | Hyoscyamus | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Alkekengi | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 159.185
TPSA？: 72.72
MolLogP？: -1.4475000000000005
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|