Aphidicolin A13
| Internal ID | 9bd32a9c-6e9c-4b58-a24a-0630251ce964 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aphidicolane and stemodane diterpenoids |
| IUPAC Name | [(1S,2R,5R,6R,7R,10S,12R,13R)-5,13-dihydroxy-2,6-bis(hydroxymethyl)-6-methyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1(CCC23CC1CC2CCC4C3(CCC(C4(C)CO)O)CO)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]([C@@]4(C)CO)O)CO)O |
| InChI | InChI=1S/C22H36O6/c1-14(25)28-13-22(27)8-7-20-10-16(22)9-15(20)3-4-17-19(2,11-23)18(26)5-6-21(17,20)12-24/h15-18,23-24,26-27H,3-13H2,1-2H3/t15-,16+,17-,18+,19-,20-,21+,22-/m0/s1 |
| InChI Key | JVAKWTVGVJCPDU-CDKGFNLYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H36O6 |
| Molecular Weight | 396.50 g/mol |
| Exact Mass | 396.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 1.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 96.79% | 96.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.57% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.96% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.73% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.97% | 97.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.41% | 98.03% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.34% | 92.86% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.29% | 82.69% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.58% | 94.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.23% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.13% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.46% | 95.50% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.42% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.21% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.40% | 92.62% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.30% | 94.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.39% | 97.79% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.34% | 97.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.15% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.35% | 97.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.17% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.13% | 95.89% |
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 | 145721102 |
| LOTUS | LTS0135018 |
| wikiData | Q105135544 |