6-acetonyldihydroavicine
AlkaPlorer ID: AK020335
Synonym: '6-Acetonyldihydroavicine', '8-Acetonyldihydroavicine', '(-)-8-Acetonyldihydroavicine'
IUPAC Name: 1-[(11R)-12-methyl-5,7,17,19-tetraoxa-12-azahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaen-11-yl]propan-2-one
Structure
SMILES: CC(=O)C[C@@H]1C2=CC3=C(C=C2C2=CC=C4C=C5OCOC5=CC4=C2N1C)OCO3
InChI: InChI=1S/C23H19NO5/c1-12(25)5-18-17-9-22-21(28-11-29-22)8-16(17)14-4-3-13-6-19-20(27-10-26-19)7-15(13)23(14)24(18)2/h3-4,6-9,18H,5,10-11H2,1-2H3/t18-/m1/s1
InChIKey: GJBHZMIAIYWRBK-GOSISDBHSA-N
Reference
Antimicrobial alkaloids from Zanthoxylum tetraspermum and caudatum
PubChem CID: 10045849
LOTUS: LTS0041049
SuperNatural Ⅲ: SN0107082-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum riedelianum | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 389.40700000000015
TPSA？: 57.23
MolLogP？: 4.434200000000003
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|