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(4-Hydroxybutyl)guanidine; O-(4-Hydroxy-3,5-dimethoxybenzoyl) 

AlkaPlorer ID: AK009473

Synonym: Leonurine, 4-Guanidinobutyl syringate

IUPAC Name: 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate

Structure

SMILES: COC1=CC(C(=O)OCCCCNC(=N)N)=CC(OC)=C1O

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InChI: InChI=1S/C14H21N3O5/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17)

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InChIKey: WNGSUWLDMZFYNZ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 311.338

TPSA？: 126.89

MolLogP？: 0.8294699999999999

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Mus musculus Mus musculus Activity nan None 10.1016/j.ejmech.2020.112469
Rattus norvegicus H9c2 Activity 52.4 % 10.1016/j.ejmech.2020.112469
Rattus norvegicus H9c2 Activity 55.1 % 10.1016/j.ejmech.2020.112469
Rattus norvegicus H9c2 Activity 62.7 % 10.1016/j.ejmech.2020.112469
Rattus norvegicus H9c2 Activity nan None 10.1016/j.ejmech.2020.112469
Rattus norvegicus H9c2 ED50 192.0 nM 10.1016/j.ejmech.2020.112469
None ADMET CL 3.0 mL.min-1.g-1 10.6019/CHEMBL3301361
None ADMET CL 138.04 uL.min-1.(10^6cells)-1 10.6019/CHEMBL3301361
None ADMET F 1.78 % 10.1016/j.ejmech.2020.112469
None ADMET PPB 38.14 % 10.6019/CHEMBL3301361
None ADMET T1/2 2.0 hr 10.1016/j.ejmech.2020.112469
None Molecular identity unknown Activity 38.53 % 10.1016/j.bmcl.2013.01.038
None Molecular identity unknown Activity 45.95 % 10.1016/j.bmcl.2013.01.038
None Molecular identity unknown Activity 76.65 % 10.1016/j.bmcl.2013.01.038
None Molecular identity unknown Activity 82.39 % 10.1016/j.bmcl.2013.01.038
None Molecular identity unknown Activity nan None 10.1016/j.bmcl.2010.09.135
None Molecular identity unknown Activity nan None 10.1016/j.bmcl.2016.08.058
None Molecular identity unknown Activity nan None 10.1016/j.ejmech.2011.05.073
None Molecular identity unknown Inhibition nan % 10.1016/j.ejmech.2011.05.073
None NON-PROTEIN TARGET Activity nan None 10.1016/j.bmcl.2010.09.135
None NON-PROTEIN TARGET Activity nan None 10.1016/j.bmcl.2016.08.058
None NON-PROTEIN TARGET Activity nan None 10.1016/j.ejmech.2011.05.073

Metabolism Information