Gigantamide A
AlkaPlorer ID: AK322129
Synonym: None
IUPAC Name: (E)-N-[4-(2-hydroxy-4-methyl-5-oxo-2H-pyrrol-1-yl)butyl]-3-phenylprop-2-enamide
Structure
SMILES: CC1=CC(O)N(CCCCN=C(O)/C=C/C2=CC=CC=C2)C1=O
InChI: InChI=1S/C18H22N2O3/c1-14-13-17(22)20(18(14)23)12-6-5-11-19-16(21)10-9-15-7-3-2-4-8-15/h2-4,7-10,13,17,22H,5-6,11-12H2,1H3,(H,19,21)/b10-9+
InChIKey: BJWYJZGECNLLCG-MDZDMXLPSA-N
Reference
Bioactive Flavaglines and Other Constituents Isolated from <i>Aglaia perviridis</i>
PubChem CID: 23655945
LOTUS: LTS0018900
NPASS: NPC471447
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aglaia perviridis | Aglaia | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 314.3850000000001
TPSA？: 73.13
MolLogP？: 2.543400000000001
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HT-29 | ED50 | 10.0 | uM | 10.1021/np3007588 |
| Homo sapiens | Nuclear factor NF-kappa-B p65 subunit | ED50 | 20.0 | uM | 10.1021/np3007588 |
| Spodoptera littoralis | Spodoptera littoralis | Activity | nan | None | 10.1021/np070184w |