(+)-Sterculinine I
AlkaPlorer ID: AK089533
Synonym: ''
IUPAC Name: (2S)-4-butoxy-4-oxo-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoic acid
Structure
SMILES: CCCCOC(=O)C[C@H](N=C(O)C1=CC(O)=NC2=CC=CC=C12)C(=O)O
InChI: InChI=1S/C18H20N2O6/c1-2-3-8-26-16(22)10-14(18(24)25)20-17(23)12-9-15(21)19-13-7-5-4-6-11(12)13/h4-7,9,14H,2-3,8,10H2,1H3,(H,19,21)(H,20,23)(H,24,25)/t14-/m0/s1
InChIKey: YUEGCMDJZXZCID-AWEZNQCLSA-N
Reference
Alkaloids from the seeds of Sterculia lychnophora (Pangdahai)
PubChem CID: 163026604
LOTUS: LTS0103730
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scaphium affine | Scaphium | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 360.3660000000001
TPSA？: 129.31
MolLogP？: 2.4316000000000004
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|