3-[7-hydroxy-3-(2-methylbut-3-en-2-yl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(2-hydroxy-3-phenylpropanamido)propanoic acid
AlkaPlorer ID: AK531548
Synonym: None
IUPAC Name: 3-[7-hydroxy-3-(2-methylbut-3-en-2-yl)-2-oxo-1H-indol-3-yl]-2-[(2-hydroxy-3-phenylpropanoyl)amino]propanoic acid
Structure
SMILES: C=CC(C)(C)C1(CC(N=C(O)C(O)CC2=CC=CC=C2)C(=O)O)C(O)=NC2=C(O)C=CC=C21
InChI: InChI=1S/C25H28N2O6/c1-4-24(2,3)25(16-11-8-12-18(28)20(16)27-23(25)33)14-17(22(31)32)26-21(30)19(29)13-15-9-6-5-7-10-15/h4-12,17,19,28-29H,1,13-14H2,2-3H3,(H,26,30)(H,27,33)(H,31,32)
InChIKey: TXVLBRMNUYNGCT-UHFFFAOYSA-N
Reference
Dioxomorpholines and Derivatives from a Marine-Facultative <i>Aspergillus</i> Species
PubChem CID: 139590598
LOTUS: LTS0035428
COCONUT: CNP0080283.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus alabamensis | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 452.5070000000002
TPSA？: 142.94000000000003
MolLogP？: 3.8472000000000017
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|