plumbagine A

AlkaPlorer ID: AK139789

Synonym: None

IUPAC Name: (2R)-2-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-7-hydroxy-6-methylhept-5-enoic acid

Structure

SMILES: CC(=CCC[C@@H](C(=O)O)[C@@H]1CNC(=N)N1)CO

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InChI: InChI=1S/C11H19N3O3/c1-7(6-15)3-2-4-8(10(16)17)9-5-13-11(12)14-9/h3,8-9,15H,2,4-6H2,1H3,(H,16,17)(H3,12,13,14)/t8-,9+/m1/s1

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InChIKey: MKVOYTACJBMDBA-BDAKNGLRSA-N

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Source

Properties Information

Molecule Weight: 241.29100000000005

TPSA: 105.44

MolLogP: -0.097829999999999

Number of H-Donors: 5

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information