Aphidicolin A2
| Internal ID | a9985764-c059-4fab-a98c-c9b79143bd0f |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxasteroids and derivatives |
| IUPAC Name | [(1S,2S,5R,10R,11R,14S,16R,17R)-17-hydroxy-2,7,7,10-tetramethyl-6,8-dioxapentacyclo[14.3.1.01,14.02,11.05,10]icosan-17-yl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1(CCC23CC1CC2CCC4C3(CCC5C4(COC(O5)(C)C)C)C)O |
| SMILES (Isomeric) | CC(=O)OC[C@]1(CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]4[C@@]3(CC[C@@H]5[C@]4(COC(O5)(C)C)C)C)O |
| InChI | InChI=1S/C25H40O5/c1-16(26)28-15-25(27)11-10-24-13-18(25)12-17(24)6-7-19-22(4)14-29-21(2,3)30-20(22)8-9-23(19,24)5/h17-20,27H,6-15H2,1-5H3/t17-,18+,19-,20+,22-,23-,24-,25-/m0/s1 |
| InChI Key | WTLPSBZUQMYRGQ-WEXNTJFTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H40O5 |
| Molecular Weight | 420.60 g/mol |
| Exact Mass | 420.28757437 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
| 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 | 98.80% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.61% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.64% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.82% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.69% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.91% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.03% | 96.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.46% | 82.69% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.16% | 94.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.12% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.03% | 92.62% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 86.19% | 95.00% |
| CHEMBL240 | Q12809 | HERG | 86.09% | 89.76% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 86.07% | 97.28% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.03% | 94.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.39% | 95.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.35% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.78% | 97.14% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.62% | 89.05% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.19% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.76% | 89.00% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 80.50% | 91.65% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.31% | 91.49% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 145721120 |
| LOTUS | LTS0223803 |
| wikiData | Q105312638 |