[1,3-Diacetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-5-yl] 2-methylpropanoate
| Internal ID | a60da2a3-2658-4567-908e-1e6989f2a0cd |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | [1,3-diacetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-5-yl] 2-methylpropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H42O7/c1-9-17(4)10-12-27(8)18(5)11-13-28-22(14-21(15-23(27)28)34-24(31)16(2)3)25(32-19(6)29)35-26(28)33-20(7)30/h9,16,18,21-23,25-26H,1,4,10-15H2,2-3,5-8H3 |
| InChI Key | QQMKNBINSPKTJP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H42O7 |
| Molecular Weight | 490.60 g/mol |
| Exact Mass | 490.29305367 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of [1,3-Diacetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-5-yl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/29c56830-8614-11ee-944a-f175d546bb1e.jpg "2D Structure of [1,3-Diacetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-5-yl] 2-methylpropanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.87% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.71% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.30% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.39% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.84% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.03% | 95.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.46% | 91.19% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.88% | 83.82% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.40% | 96.47% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.12% | 98.03% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.20% | 89.05% |
| CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 88.02% | 82.05% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.71% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.68% | 89.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.43% | 96.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.23% | 96.61% |
| CHEMBL5028 | O14672 | ADAM10 | 84.18% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.13% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.95% | 89.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.51% | 95.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.94% | 91.07% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.76% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.75% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.26% | 95.89% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.90% | 85.30% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.68% | 98.95% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.44% | 98.10% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.44% | 97.93% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.26% | 82.50% |
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.
| Monodora undulata |
| PubChem | 162972415 |
| LOTUS | LTS0126026 |
| wikiData | Q105225934 |