Butanedioic acid, 1H-indol-3-yl-, (2S)-
AlkaPlorer ID: AK405294
Synonym: None
IUPAC Name: (2S)-2-(1H-indol-3-yl)butanedioic acid
Structure
SMILES: O=C(O)C[C@H](C(=O)O)C1=CNC2=CC=CC=C12
InChI: InChI=1S/C12H11NO4/c14-11(15)5-8(12(16)17)9-6-13-10-4-2-1-3-7(9)10/h1-4,6,8,13H,5H2,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKey: HVTXQEBIPXLXDW-QMMMGPOBSA-N
Reference
PubChem CID: 729621
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 233.223
TPSA？: 90.39
MolLogP？: 1.8108
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Fuchsia | Fuchsia | Ratio | 3.8 | None | 10.1021/jf010991f |
| Fuchsia | Fuchsia | Ratio | 4.6 | None | 10.1021/jf010991f |
| Fuchsia | Fuchsia | Ratio | 4.8 | None | 10.1021/jf010991f |
| Fuchsia | Fuchsia | Ratio | 5.7 | None | 10.1021/jf010991f |