Aranochlor A
| Internal ID | 13308461-c2f0-4e9f-87db-df364c46e71d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (2E,4E,6R)-N-[(1S,2R,2'R,3'S,6R)-4-chloro-2'-hydroxy-5-oxospiro[7-oxabicyclo[4.1.0]hept-3-ene-2,5'-oxolane]-3'-yl]-4,6-dimethyldodeca-2,4-dienamide |
| SMILES (Canonical) | CCCCCCC(C)C=C(C)C=CC(=O)NC1CC2(C=C(C(=O)C3C2O3)Cl)OC1O |
| SMILES (Isomeric) | CCCCCC[C@@H](C)/C=C(\C)/C=C/C(=O)N[C@H]1C[C@]2(C=C(C(=O)[C@H]3[C@@H]2O3)Cl)O[C@H]1O |
| InChI | InChI=1S/C23H32ClNO5/c1-4-5-6-7-8-14(2)11-15(3)9-10-18(26)25-17-13-23(30-22(17)28)12-16(24)19(27)20-21(23)29-20/h9-12,14,17,20-22,28H,4-8,13H2,1-3H3,(H,25,26)/b10-9+,15-11+/t14-,17+,20+,21+,22-,23+/m1/s1 |
| InChI Key | JXZMSDXQKQMWKD-IDAJJKNKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H32ClNO5 |
| Molecular Weight | 438.00 g/mol |
| Exact Mass | 437.1969008 g/mol |
| Topological Polar Surface Area (TPSA) | 88.20 Ų |
| XlogP | 5.00 |
| (2E,4E,6R)-N-[(1S,2R,2'R,3'S,6R)-4-Chloro-2'-hydroxy-5-oxospiro[7-oxabicyclo[4.1.0]hept-3-ene-2,5'-oxolane]-3'-yl]-4,6-dimethyldodeca-2,4-dienamide |
| 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 | 99.14% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 97.78% | 98.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.74% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.84% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.54% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.39% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.07% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.39% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.78% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.66% | 93.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.69% | 96.61% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.06% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.99% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.53% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.97% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.31% | 97.14% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.90% | 90.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.58% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.10% | 91.19% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.60% | 97.29% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.91% | 95.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.04% | 89.34% |
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 | 9845955 |
| LOTUS | LTS0198511 |
| wikiData | Q105136871 |