Huajiaosimuline
AlkaPlorer ID: AK005962
Synonym: ''
IUPAC Name: (2S)-2,6-dimethyl-2-(4-methyl-3-oxopentyl)pyrano[3,2-c]quinolin-5-one
Structure
SMILES: CC(C)C(=O)CC[C@@]1(C)C=CC2=C(O1)C1=CC=CC=C1N(C)C2=O
InChI: InChI=1S/C20H23NO3/c1-13(2)17(22)10-12-20(3)11-9-15-18(24-20)14-7-5-6-8-16(14)21(4)19(15)23/h5-9,11,13H,10,12H2,1-4H3/t20-/m1/s1
InChIKey: NYATVLNHGXEKDI-HXUWFJFHSA-N
Reference
Alkaloids from Zanthoxylum simulans
PubChem CID: 163065193
LOTUS: LTS0063624
SuperNatural Ⅲ: SN0258280-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum simulans | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 325.4080000000001
TPSA？: 48.3
MolLogP？: 3.7081000000000026
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|