Bis(5,5,9-trimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) propanedioate
| Internal ID | e5173c87-a2bb-482b-b98e-59eb9751c4b1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | bis(5,5,9-trimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) propanedioate |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4OC(=O)CC(=O)OC5C(=C)C6CCC7C5(C6)CCC8C7(CCCC8(C)C)C)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4OC(=O)CC(=O)OC5C(=C)C6CCC7C5(C6)CCC8C7(CCCC8(C)C)C)C)C |
| InChI | InChI=1S/C43H64O4/c1-26-28-11-13-32-40(7)19-9-17-38(3,4)30(40)15-21-42(32,24-28)36(26)46-34(44)23-35(45)47-37-27(2)29-12-14-33-41(8)20-10-18-39(5,6)31(41)16-22-43(33,37)25-29/h28-33,36-37H,1-2,9-25H2,3-8H3 |
| InChI Key | HBUVYHZBTOWEJR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H64O4 |
| Molecular Weight | 645.00 g/mol |
| Exact Mass | 644.48046052 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 11.90 |
| There are no found synonyms. |
![2D Structure of Bis(5,5,9-trimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) propanedioate](https://plantaedb.com/storage/docs/compounds/2023/11/bis559-trimethyl-14-methylidene-15-tetracyclo11210110049hexadecanyl-propanedioate.jpg "2D Structure of Bis(5,5,9-trimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) propanedioate")
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.86% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.94% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.90% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.34% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 91.71% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.78% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.51% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.42% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.92% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.04% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.74% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.09% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 82.85% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.80% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.70% | 90.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.88% | 92.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.82% | 94.75% |
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.
| Nardia succulenta |
| PubChem | 163034547 |
| LOTUS | LTS0173043 |
| wikiData | Q105025498 |