Plumbagine C
AlkaPlorer ID: AK053552
Synonym: None
IUPAC Name: (2R)-2-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propanoic acid
Structure
SMILES: CC1=C[C@@H](C[C@@H](C(=O)O)[C@@H]2CNC(=N)N2)OC1=O
InChI: InChI=1S/C11H15N3O4/c1-5-2-6(18-10(5)17)3-7(9(15)16)8-4-13-11(12)14-8/h2,6-8H,3-4H2,1H3,(H,15,16)(H3,12,13,14)/t6-,7+,8-/m0/s1
InChIKey: AMYMYLNREHJDCT-RNJXMRFFSA-N
Reference
Guanidine Alkaloids from <i>Plumbago zeylanica</i>
PubChem CID: 136260511
LOTUS: LTS0133029
NPASS: NPC147238
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Plumbago zeylanica | Plumbago | Plumbaginaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 253.258
TPSA？: 111.51000000000002
MolLogP？: -0.5548299999999993
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
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 |