(1R,3R,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylacetate
AlkaPlorer ID: AK055338
Synonym: None
IUPAC Name: [(1R,3R,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-phenylacetate
Structure
SMILES: CN1[C@H]2C[C@@H](OC(=O)CC3=CC=CC=C3)C[C@@H]1[C@@H](O)C2
InChI: InChI=1S/C16H21NO3/c1-17-12-8-13(10-14(17)15(18)9-12)20-16(19)7-11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14+,15-/m0/s1
InChIKey: NHJIGOBHFARUPD-YJNKXOJESA-N
Reference
Tropane alkaloid patterns in plants and hairy roots of Hyoscyamus albus
PubChem CID: 163051352
LOTUS: LTS0224021
SuperNatural Ⅲ: SN0245586-04
NPASS: NPC308306
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Achillea atrata | Achillea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Metapochonia suchlasporia | Metapochonia | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 275.34800000000007
TPSA？: 49.77
MolLogP？: 1.3682999999999996
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|