Plantagoguanidinic Acid
AlkaPlorer ID: AK118426
Synonym: None
IUPAC Name: (2R)-2-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-6-methylhept-5-enoic acid
Structure
SMILES: CC(C)=CCC[C@@H](C(=O)O)[C@@H]1CNC(=N)N1
InChI: InChI=1S/C11H19N3O2/c1-7(2)4-3-5-8(10(15)16)9-6-13-11(12)14-9/h4,8-9H,3,5-6H2,1-2H3,(H,15,16)(H3,12,13,14)/t8-,9+/m1/s1
InChIKey: WVCALCYXKSQZFA-BDAKNGLRSA-N
Reference
Guanidine Alkaloids from <i>Plumbago zeylanica</i>
PubChem CID: 71746248
LOTUS: LTS0113167
NPASS: NPC304455
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Plantago depressa | Plantago | Plantaginaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Plumbago zeylanica | Plumbago | Plumbaginaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 225.29200000000003
TPSA？: 85.21000000000001
MolLogP？: 0.9297699999999998
Number of H-Donors: 4
Number of H-Acceptors: 2
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 |
| None | Hepatocyte | Inhibition | 12.5 | % | 10.1021/acs.jnatprod.5b00368 |