Spermine
| Internal ID | 37b7626b-295e-4c45-9a02-bfe14bd5fba5 |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Amines > Secondary amines > Dialkylamines |
| IUPAC Name | N,N'-bis(3-aminopropyl)butane-1,4-diamine |
| SMILES (Canonical) | C(CCNCCCN)CNCCCN |
| SMILES (Isomeric) | C(CCNCCCN)CNCCCN |
| InChI | InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2 |
| InChI Key | PFNFFQXMRSDOHW-UHFFFAOYSA-N |
| Popularity | 15,266 references in papers |
| Molecular Formula | C10H26N4 |
| Molecular Weight | 202.34 g/mol |
| Exact Mass | 202.21574685 g/mol |
| Topological Polar Surface Area (TPSA) | 76.10 Ų |
| XlogP | -1.10 |
| 71-44-3 |
| musculamine |
| neuridine |
| gerontine |
| Spermin |
| 4,9-Diaza-1,12-dodecanediamine |
| N,N'-Bis(3-aminopropyl)-1,4-butanediamine |
| Spermine, puriss |
| Diaminopropyltetramethylenediamine |
| 1,4-Butanediamine, N,N'-bis(3-aminopropyl)- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL2903 | P16050 | Arachidonate 15-lipoxygenase |
7943.3 nM |
Potency |
via CMAUP
|
| CHEMBL1293236 | P46063 | ATP-dependent DNA helicase Q1 |
31622.8 nM |
Potency |
via CMAUP
|
| CHEMBL3729 | P22748 | Carbonic anhydrase IV |
10 nM 10 nM |
Ki Ki |
PMID: 20590092
via Super-PRED |
| CHEMBL3594 | Q16790 | Carbonic anhydrase IX |
13300 nM 13300 nM |
Ki Ki |
PMID: 21282059
PMID: 20590092 |
| CHEMBL4789 | P35218 | Carbonic anhydrase VA |
840 nM 840 nM |
Ki Ki |
via Super-PRED
PMID: 20590092 |
| CHEMBL3969 | Q9Y2D0 | Carbonic anhydrase VB |
830 nM 830 nM |
Ki Ki |
PMID: 20590092
via Super-PRED |
| CHEMBL3025 | P23280 | Carbonic anhydrase VI |
990 nM 990 nM |
Ki Ki |
PMID: 20590092
via Super-PRED |
| CHEMBL2326 | P43166 | Carbonic anhydrase VII |
710 nM 710 nM |
Ki Ki |
PMID: 20590092
via Super-PRED |
| CHEMBL3242 | O43570 | Carbonic anhydrase XII |
27600 nM 27600 nM |
Ki Ki |
PMID: 20590092
PMID: 21282059 |
| CHEMBL3510 | Q9ULX7 | Carbonic anhydrase XIV |
860 nM 860 nM |
Ki Ki |
PMID: 20590092
via Super-PRED |
| CHEMBL4884 | P42575 | Caspase-2 |
8500 nM |
EC50 |
PMID: 18366176
|
| CHEMBL3356 | P05177 | Cytochrome P450 1A2 |
15848.93 nM |
AC50 |
via CMAUP
|
| CHEMBL3622 | P33261 | Cytochrome P450 2C19 |
7943.28 nM |
AC50 |
via CMAUP
|
| CHEMBL4159 | Q99714 | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein |
39810.7 nM |
Potency |
via CMAUP
|
| CHEMBL1293256 | P40225 | Thrombopoietin |
7943.3 nM 7943.3 nM |
Potency Potency |
via CMAUP
via CMAUP |
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 89.84% | 90.24% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.05% | 96.09% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.28% | 97.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.05% | 91.11% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 83.82% | 94.01% |
| CHEMBL2916 | O14746 | Telomerase reverse transcriptase | 83.71% | 90.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.33% | 93.18% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.64% | 91.38% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.13% | 97.29% |
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.
| PubChem | 1103 |
| NPASS | NPC95589 |
| ChEMBL | CHEMBL23194 |
| LOTUS | LTS0179313 |
| wikiData | Q424597 |