Odorine
AlkaPlorer ID: AK027784
Synonym: None
IUPAC Name: (2S)-2-methyl-N-[(2R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanamide
Structure
SMILES: CC[C@H](C)C(O)=N[C@H]1CCCN1C(=O)/C=C/C1=CC=CC=C1
InChI: InChI=1S/C18H24N2O2/c1-3-14(2)18(22)19-16-10-7-13-20(16)17(21)12-11-15-8-5-4-6-9-15/h4-6,8-9,11-12,14,16H,3,7,10,13H2,1-2H3,(H,19,22)/b12-11+/t14-,16+/m0/s1
InChIKey: KZAOEMMZRGEBST-IXVOVUJJSA-N
Reference
New nitrogenous and aromatic derivatives from Aglaia argentea and A. forbesii
PubChem CID: 23242585
LOTUS: LTS0093445
SuperNatural Ⅲ: SN0199219-08
NPASS: NPC130898
Source
Properties Information
Molecule Weight: 300.402
TPSA？: 52.900000000000006
MolLogP？: 3.650900000000002
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A-431 | ED50 | 20.0 | ug ml-1 | 10.1021/np50094a004 |
| Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B | Potency | 39810.7 | nM | None |
| Homo sapiens | Cellular tumor antigen p53 | Potency | 35481.3 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 100000.0 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 100000.0 | nM | None |
| Homo sapiens | HT-1080 | ED50 | 20.0 | ug ml-1 | 10.1021/np50094a004 |
| Homo sapiens | KB | ED50 | 20.0 | ug ml-1 | 10.1021/np50094a004 |
| Homo sapiens | LNCaP | ED50 | 20.0 | ug ml-1 | 10.1021/np50094a004 |
| Homo sapiens | SK-MEL-2 | ED50 | 20.0 | ug ml-1 | 10.1021/np50094a004 |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 | Potency | 112201.8 | nM | None |
| Homo sapiens | ZR-75-1 | ED50 | 20.0 | ug ml-1 | 10.1021/np50094a004 |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 7375.3 | nM | None |
| None | NON-PROTEIN TARGET | ED50 | 6.4 | ug ml-1 | 10.1021/np50094a004 |
| None | NON-PROTEIN TARGET | ED50 | 20.0 | ug ml-1 | 10.1021/np50094a004 |
| None | Unchecked | Potency | 517.4 | nM | None |