[(1S,2S,5R,6R,7R,10S,12R,13R)-5,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate
| Internal ID | ba50dea8-f30a-4ad9-8434-41bfed60addb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aphidicolane and stemodane diterpenoids |
| IUPAC Name | [(1S,2S,5R,6R,7R,10S,12R,13R)-5,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H36O5/c1-14(24)27-13-22(26)9-8-21-11-16(22)10-15(21)4-5-17-19(2,12-23)18(25)6-7-20(17,21)3/h15-18,23,25-26H,4-13H2,1-3H3/t15-,16+,17-,18+,19-,20-,21-,22-/m0/s1 |
| InChI Key | GAPINCSXTLCIPV-BORIEPGUSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C22H36O5 |
| Molecular Weight | 380.50 g/mol |
| Exact Mass | 380.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 3.10 |
| Q27137615 |
![2D Structure of [(1S,2S,5R,6R,7R,10S,12R,13R)-5,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/aphidicolin-17-monoacetate.jpg "2D Structure of [(1S,2S,5R,6R,7R,10S,12R,13R)-5,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate")
| 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 | 97.36% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 96.75% | 96.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.44% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.37% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.85% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.84% | 82.69% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.83% | 98.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.47% | 91.19% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.53% | 94.62% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 88.41% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.42% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.29% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.83% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.15% | 83.82% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.10% | 92.86% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.32% | 97.93% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.83% | 97.79% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.54% | 94.75% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.15% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.85% | 92.62% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.28% | 89.05% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.60% | 97.21% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 80.35% | 95.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.30% | 97.29% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.17% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 14843890 |
| LOTUS | LTS0122245 |
| wikiData | Q27137615 |