[1,3,5,9-Tetraacetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] deca-2,4-dienoate
| Internal ID | 2909256f-e69d-42db-b7ee-010c5f5f26a8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | [1,3,5,9-tetraacetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] deca-2,4-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H52O11/c1-10-12-13-14-15-16-17-18-32(43)48-34-33(45-26(6)40)24(4)37(9,20-19-23(3)11-2)31-22-29(44-25(5)39)21-30-35(46-27(7)41)49-36(38(30,31)34)47-28(8)42/h11,15-18,21,24,29,31,33-36H,2-3,10,12-14,19-20,22H2,1,4-9H3 |
| InChI Key | QULKHTBAJDJGJB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H52O11 |
| Molecular Weight | 684.80 g/mol |
| Exact Mass | 684.35096247 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 7.60 |
| There are no found synonyms. |
![2D Structure of [1,3,5,9-Tetraacetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] deca-2,4-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/ab48ade0-86c2-11ee-928e-09ebbbc7eac6.jpg "2D Structure of [1,3,5,9-Tetraacetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] deca-2,4-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.07% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.27% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.24% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.22% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.69% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.35% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.66% | 97.79% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.00% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.43% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.36% | 83.82% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.76% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.45% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.26% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.64% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.33% | 91.19% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.81% | 97.21% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.72% | 89.63% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.64% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.41% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.01% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.64% | 95.50% |
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.
| Casearia rupestris |
| PubChem | 75971629 |
| LOTUS | LTS0076053 |
| wikiData | Q104196211 |