Nitraraine; O-Ac
AlkaPlorer ID: AK217360
Synonym: O-Acetylnitraraine
IUPAC Name: 1,3,11,12,14,15,16,17,20,21-decahydroyohimban-19-ylmethyl acetate
Structure
SMILES: CC(=O)OCC1=CCCC2CN3CCC4=C(NC5=CC=CC=C45)C3CC12
InChI: InChI=1S/C22H26N2O2/c1-14(25)26-13-16-6-4-5-15-12-24-10-9-18-17-7-2-3-8-20(17)23-22(18)21(24)11-19(15)16/h2-3,6-8,15,19,21,23H,4-5,9-13H2,1H3
InChIKey: MQSBUCVBSSNACN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nitraria schoberi | Nitraria | Nitrariaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 350.46200000000005
TPSA？: 45.33
MolLogP？: 3.986500000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|