[(1R,2R,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,14-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl octadeca-9,12-dienoate
| Internal ID | 15f63a5d-5d61-4ac8-920a-8eb0a5191177 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Tigliane and ingenane diterpenoids |
| IUPAC Name | [(1R,2R,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,14-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl octadeca-9,12-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H60O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34(42)46-26-30-24-31-32(23-27(2)35(31)43)39(45)28(3)37(44)40(47-29(4)41)36(33(39)25-30)38(40,5)6/h11-12,14-15,23,25,28,31-33,36-37,44-45H,7-10,13,16-22,24,26H2,1-6H3/t28-,31-,32-,33+,36-,37-,39+,40-/m1/s1 |
| InChI Key | YCILLHFFVLLMRC-RKPGIRTMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H60O7 |
| Molecular Weight | 652.90 g/mol |
| Exact Mass | 652.43390425 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,14-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl octadeca-9,12-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/07bc1220-852f-11ee-abda-71fb53065bd4.jpg "2D Structure of [(1R,2R,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,14-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl octadeca-9,12-dienoate")
| 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 | 97.98% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.64% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 97.59% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 97.20% | 98.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.04% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.91% | 91.11% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 94.07% | 97.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.74% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.95% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.88% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.57% | 89.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.41% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.95% | 90.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.61% | 85.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.57% | 96.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.05% | 92.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.29% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.70% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.49% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.30% | 90.08% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.12% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.27% | 97.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.05% | 92.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.90% | 94.33% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.67% | 97.05% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.21% | 100.00% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 83.07% | 86.67% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.29% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.78% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.36% | 100.00% |
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 tiglium |
| PubChem | 162877950 |
| LOTUS | LTS0133892 |
| wikiData | Q105346284 |