Sterculinine I; Me ester analogue
AlkaPlorer ID: AK314440
Synonym: Sterculinine II
IUPAC Name: 4-methoxy-4-oxo-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoic acid
Structure
SMILES: COC(=O)CC(N=C(O)C1=CC(O)=NC2=CC=CC=C12)C(=O)O
InChI: InChI=1S/C15H14N2O6/c1-23-13(19)7-11(15(21)22)17-14(20)9-6-12(18)16-10-5-3-2-4-8(9)10/h2-6,11H,7H2,1H3,(H,16,18)(H,17,20)(H,21,22)
InChIKey: DTWJLKCBGPJKQZ-UHFFFAOYSA-N
Reference
Alkaloids from the Seeds of Sterculia lychnophora (Pangdahai).
PubChem CID: 12112941
CAS: 600166-06-1
LOTUS: LTS0146266
NPASS: NPC207604
COCONUT: CNP0243102.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scaphium lychnophorum | Scaphium | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Lychnophora | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 318.2850000000001
TPSA？: 129.31
MolLogP？: 1.2613
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|