Cladosin J
| Internal ID | 1b61c47d-dbdd-4694-8abb-2a5a6fb938b7 |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Amines > Aralkylamines > Phenylalkylamines |
| IUPAC Name | 3-[C-[(2S,4S)-2-anilino-4-hydroxypentyl]-N-phenylcarbonimidoyl]-4-hydroxy-5-propan-2-ylidenepyrrol-2-one |
| SMILES (Canonical) | CC(CC(CC(=NC1=CC=CC=C1)C2=C(C(=C(C)C)NC2=O)O)NC3=CC=CC=C3)O |
| SMILES (Isomeric) | C[C@@H](C[C@H](CC(=NC1=CC=CC=C1)C2=C(C(=C(C)C)NC2=O)O)NC3=CC=CC=C3)O |
| InChI | InChI=1S/C25H29N3O3/c1-16(2)23-24(30)22(25(31)28-23)21(27-19-12-8-5-9-13-19)15-20(14-17(3)29)26-18-10-6-4-7-11-18/h4-13,17,20,26,29-30H,14-15H2,1-3H3,(H,28,31)/t17-,20+/m0/s1 |
| InChI Key | LQVVUVSMCUMJAP-FXAWDEMLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H29N3O3 |
| Molecular Weight | 419.50 g/mol |
| Exact Mass | 419.22089180 g/mol |
| Topological Polar Surface Area (TPSA) | 94.00 Ų |
| XlogP | 4.60 |
| CHEMBL4175561 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.79% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.18% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.19% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.96% | 94.73% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.81% | 94.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.42% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.23% | 94.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.46% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.14% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.57% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.65% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.55% | 90.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.12% | 96.47% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.14% | 95.50% |
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.
| There are no matching plants. |
| PubChem | 139590074 |
| LOTUS | LTS0222558 |
| wikiData | Q105155898 |