Plumbagine D
AlkaPlorer ID: AK139797
Synonym: None
IUPAC Name: (2R)-2-[(4R)-2-amino-1-(2,4-dihydroxybutyl)-4,5-dihydroimidazol-4-yl]-6-methylhept-5-enoic acid
Structure
SMILES: CC(C)=CCC[C@@H](C(=O)O)[C@@H]1CN(CC(O)CCO)C(=N)N1
InChI: InChI=1S/C15H27N3O4/c1-10(2)4-3-5-12(14(21)22)13-9-18(15(16)17-13)8-11(20)6-7-19/h4,11-13,19-20H,3,5-9H2,1-2H3,(H2,16,17)(H,21,22)/t11?,12-,13+/m1/s1
InChIKey: YBDFOLPJANBFKD-HDYSRYHKSA-N
Reference
Guanidine Alkaloids from <i>Plumbago zeylanica</i>
PubChem CID: 71746443
LOTUS: LTS0211861
NPASS: NPC471258
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: 313.398
TPSA？: 116.88
MolLogP？: 0.3854700000000004
Number of H-Donors: 5
Number of H-Acceptors: 4
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 | 18.5 | % | 10.1021/acs.jnatprod.5b00368 |