Daturamine Hydrobromide
AlkaPlorer ID: AK420038
Synonym: None
IUPAC Name: (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) (2R)-2,3-dihydroxy-2-phenylpropanoate
Structure
SMILES: CN1C2CC(OC(=O)[C@](O)(CO)C3=CC=CC=C3)CC1C1OC12
InChI: InChI=1S/C17H21NO5/c1-18-12-7-11(8-13(18)15-14(12)23-15)22-16(20)17(21,9-19)10-5-3-2-4-6-10/h2-6,11-15,19,21H,7-9H2,1H3/t11?,12?,13?,14?,15?,17-/m0/s1
InChIKey: JEJREKXHLFEVHN-VIFSAKLVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anisodus tanguticus | Anisodus | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 319.3570000000001
TPSA？: 82.53
MolLogP？: 0.0220999999999995
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Monoclonal antibody (mAb) 2E2 | RBA | 59000.0 | None | 10.1021/jm030351z |