(1Z,3E)-1-[3-methylidenepent-4-enyl(2-methylpropyl)amino]-3-propan-2-ylhexa-1,3-diene-1,4-diol
| Internal ID | c74c2a02-44d2-4e08-babf-397d03acabba |
| IUPAC Name | (1Z,3E)-1-[3-methylidenepent-4-enyl(2-methylpropyl)amino]-3-propan-2-ylhexa-1,3-diene-1,4-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H33NO2/c1-8-16(7)10-11-20(13-14(3)4)19(22)12-17(15(5)6)18(21)9-2/h8,12,14-15,21-22H,1,7,9-11,13H2,2-6H3/b18-17-,19-12- |
| InChI Key | KEHLQFYLWNJSMH-UUPRNIFOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H33NO2 |
| Molecular Weight | 307.50 g/mol |
| Exact Mass | 307.251129295 g/mol |
| Topological Polar Surface Area (TPSA) | 43.70 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of (1Z,3E)-1-[3-methylidenepent-4-enyl(2-methylpropyl)amino]-3-propan-2-ylhexa-1,3-diene-1,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1z3e-1-3-methylidenepent-4-enyl2-methylpropylamino-3-propan-2-ylhexa-13-diene-14-diol.jpg "2D Structure of (1Z,3E)-1-[3-methylidenepent-4-enyl(2-methylpropyl)amino]-3-propan-2-ylhexa-1,3-diene-1,4-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 93.88% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.26% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.11% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.11% | 90.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.66% | 96.47% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 84.46% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.05% | 97.29% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.23% | 87.45% |
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.
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| There are no matching plants. |
| PubChem | 132174975 |
| LOTUS | LTS0018547 |
| wikiData | Q105307337 |