N-(3-carboxypropyl)-N-(3-methyl-2-butenyl) guanidine
Internal ID | 49873e80-e3ad-4ba1-a2e5-cf033db8d3b8 |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Branched fatty acids |
IUPAC Name | 4-[carbamimidoyl(3-methylbut-2-enyl)amino]butanoic acid |
SMILES (Canonical) | CC(=CCN(CCCC(=O)O)C(=N)N)C |
SMILES (Isomeric) | CC(=CCN(CCCC(=O)O)C(=N)N)C |
InChI | InChI=1S/C10H19N3O2/c1-8(2)5-7-13(10(11)12)6-3-4-9(14)15/h5H,3-4,6-7H2,1-2H3,(H3,11,12)(H,14,15) |
InChI Key | ILBQBCDZPWYQPS-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C10H19N3O2 |
Molecular Weight | 213.28 g/mol |
Exact Mass | 213.147726857 g/mol |
Topological Polar Surface Area (TPSA) | 90.40 Ų |
XlogP | 0.60 |
There are no found synonyms. |
![2D Structure of N-(3-carboxypropyl)-N-(3-methyl-2-butenyl) guanidine 2D Structure of N-(3-carboxypropyl)-N-(3-methyl-2-butenyl) guanidine](https://plantaedb.com/storage/docs/compounds/2023/11/n-3-carboxypropyl-n-3-methyl-2-butenyl-guanidine.jpg)
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
No proven targets yet! |
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.97% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 94.71% | 98.95% |
CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 90.31% | 97.88% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.09% | 99.17% |
CHEMBL2185 | Q96GD4 | Serine/threonine-protein kinase Aurora-B | 87.48% | 96.80% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.80% | 90.17% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.22% | 93.00% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.10% | 91.19% |
CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.88% | 100.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 81.14% | 94.73% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.90% | 91.11% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
Phyllolobium chinense |
PubChem | 101416185 |
LOTUS | LTS0079214 |
wikiData | Q105115075 |