8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-3-(4-hydroxyphenyl)propanoate
AlkaPlorer ID: AK410707
Synonym: None
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-3-(4-hydroxyphenyl)propanoate
Structure
SMILES: CN1C2CCC1CC(OC(=O)C(O)CC1=CC=C(O)C=C1)C2
InChI: InChI=1S/C17H23NO4/c1-18-12-4-5-13(18)10-15(9-12)22-17(21)16(20)8-11-2-6-14(19)7-3-11/h2-3,6-7,12-13,15-16,19-20H,4-5,8-10H2,1H3
InChIKey: IIIHZDNWQJVVEP-UHFFFAOYSA-N
Reference
Tropane alkaloid patterns in plants and hairy roots of Hyoscyamus albus
PubChem CID: 69574599
LOTUS: LTS0058390
COCONUT: CNP0286609.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hyoscyamus albus | Hyoscyamus | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 305.374
TPSA？: 70.0
MolLogP？: 1.4639999999999995
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|