12-O-[(2R)-N,N-dimethyl-3-methylbutanoyl]phorbol 13-acetate
| Internal ID | 9a72273d-475b-46d0-9de1-3fc1d1394c70 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Tigliane and ingenane diterpenoids > Phorbol esters |
| IUPAC Name | [(1S,2S,6S,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2R)-2-(dimethylamino)-3-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H43NO8/c1-14(2)21(30(8)9)25(34)37-24-16(4)28(36)19(22-26(6,7)29(22,24)38-17(5)32)11-18(13-31)12-27(35)20(28)10-15(3)23(27)33/h10-11,14,16,19-22,24,31,35-36H,12-13H2,1-9H3/t16-,19+,20-,21-,22-,24-,27+,28-,29-/m1/s1 |
| InChI Key | NNQZZZKSYAIGAN-XUSXYMRCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H43NO8 |
| Molecular Weight | 533.70 g/mol |
| Exact Mass | 533.29886733 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 1.70 |
| BDBM50269235 |
| 12-O-[(2R)-N,N-dimethyl-3-methylbutanoyl]phorbol 13-acetate |
![2D Structure of 12-O-[(2R)-N,N-dimethyl-3-methylbutanoyl]phorbol 13-acetate](https://plantaedb.com/storage/docs/compounds/2023/11/12-o-2r-nn-dimethyl-3-methylbutanoylphorbol-13-acetate.jpg "2D Structure of 12-O-[(2R)-N,N-dimethyl-3-methylbutanoyl]phorbol 13-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.59% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.38% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 97.39% | 97.79% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.58% | 97.25% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 94.39% | 98.03% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.59% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.49% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.24% | 93.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.85% | 90.08% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.48% | 98.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.27% | 88.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.19% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.31% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.45% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.27% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.77% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.50% | 94.45% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 83.28% | 97.63% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.84% | 96.47% |
| CHEMBL4794 | Q8NER1 | Vanilloid receptor | 82.74% | 98.97% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.01% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.96% | 97.50% |
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.
| Croton ciliatoglandulifer |
| PubChem | 11519421 |
| LOTUS | LTS0007094 |
| wikiData | Q105182270 |