6-hydroxy-2-(2-iminoimidazolidin-4-yl)-6-methylheptanoic acid
AlkaPlorer ID: AK118424
Synonym: None
IUPAC Name: (2R)-2-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-6-hydroxy-6-methylheptanoic acid
Structure
SMILES: CC(C)(O)CCC[C@@H](C(=O)O)[C@@H]1CNC(=N)N1
InChI: InChI=1S/C11H21N3O3/c1-11(2,17)5-3-4-7(9(15)16)8-6-13-10(12)14-8/h7-8,17H,3-6H2,1-2H3,(H,15,16)(H3,12,13,14)/t7-,8+/m1/s1
InChIKey: GBSCWVANWSJNOB-SFYZADRCSA-N
Reference
Guanidine Alkaloids from <i>Plumbago zeylanica</i>
PubChem CID: 136219284
LOTUS: LTS0071618
NPASS: NPC304454
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Plumbago zeylanica | Plumbago | Plumbaginaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 243.30700000000004
TPSA？: 105.44
MolLogP？: 0.1245700000000009
Number of H-Donors: 5
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MDA-MB-231 | IC50 | 10000.0 | nM | 10.1021/np400235s |
| Homo sapiens | PANC-1 | IC50 | 10000.0 | nM | 10.1021/np400235s |