[1,3-Diacetyloxy-5,9-dihydroxy-7-[3-(hydroxymethyl)penta-2,4-dienyl]-7,8-dimethyl-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] tetradecanoate
| Internal ID | 76debea6-32ed-4e6c-8196-14048d152a9b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | [1,3-diacetyloxy-5,9-dihydroxy-7-[3-(hydroxymethyl)penta-2,4-dienyl]-7,8-dimethyl-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] tetradecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H60O10/c1-7-9-10-11-12-13-14-15-16-17-18-19-32(43)47-34-33(44)25(3)37(6,21-20-28(8-2)24-39)31-23-29(42)22-30-35(45-26(4)40)48-36(38(30,31)34)46-27(5)41/h8,20,22,25,29,31,33-36,39,42,44H,2,7,9-19,21,23-24H2,1,3-6H3 |
| InChI Key | FLOKZUWFMRUBNA-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C38H60O10 |
| Molecular Weight | 676.90 g/mol |
| Exact Mass | 676.41864811 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | 7.70 |
| There are no found synonyms. |
![2D Structure of [1,3-Diacetyloxy-5,9-dihydroxy-7-[3-(hydroxymethyl)penta-2,4-dienyl]-7,8-dimethyl-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] tetradecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/0dd89bd0-870b-11ee-b68c-37fe9ef582b3.jpg "2D Structure of [1,3-Diacetyloxy-5,9-dihydroxy-7-[3-(hydroxymethyl)penta-2,4-dienyl]-7,8-dimethyl-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] tetradecanoate")
| 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 | 99.18% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.92% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.43% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.15% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.11% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.57% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.21% | 97.25% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.69% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.69% | 86.33% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.97% | 98.03% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.37% | 97.29% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.94% | 89.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.84% | 95.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.54% | 94.73% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.99% | 91.24% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.73% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.65% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.57% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.41% | 94.80% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.04% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.73% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.17% | 95.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.82% | 92.86% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.76% | 91.19% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.55% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.52% | 95.89% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 81.17% | 97.63% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.68% | 97.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.06% | 92.08% |
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.
| Casearia bicolor |
| PubChem | 162954444 |
| LOTUS | LTS0205272 |
| wikiData | Q104997293 |