13-(2-Hydroxy-6-methyl-4-oxohept-5-en-2-yl)-5,9,10-trimethyl-6-prop-1-en-2-yl-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-3-one
| Internal ID | 3b81cadd-626c-4a47-9443-711f55e9f30c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | 13-(2-hydroxy-6-methyl-4-oxohept-5-en-2-yl)-5,9,10-trimethyl-6-prop-1-en-2-yl-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-3-one |
| SMILES (Canonical) | CC(=CC(=O)CC(C)(C1CCC2(C1CC3C4C2(CCC(C4(CC(=O)O3)C)C(=C)C)C)C)O)C |
| SMILES (Isomeric) | CC(=CC(=O)CC(C)(C1CCC2(C1CC3C4C2(CCC(C4(CC(=O)O3)C)C(=C)C)C)C)O)C |
| InChI | InChI=1S/C29H44O4/c1-17(2)13-19(30)15-29(8,32)21-10-11-27(6)22(21)14-23-25-26(5,16-24(31)33-23)20(18(3)4)9-12-28(25,27)7/h13,20-23,25,32H,3,9-12,14-16H2,1-2,4-8H3 |
| InChI Key | BUJGWAQQUIXXHH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H44O4 |
| Molecular Weight | 456.70 g/mol |
| Exact Mass | 456.32395988 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 13-(2-Hydroxy-6-methyl-4-oxohept-5-en-2-yl)-5,9,10-trimethyl-6-prop-1-en-2-yl-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/bf76f1f0-8631-11ee-b949-95b8a12a0617.jpg "2D Structure of 13-(2-Hydroxy-6-methyl-4-oxohept-5-en-2-yl)-5,9,10-trimethyl-6-prop-1-en-2-yl-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-3-one")
| 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 | 99.19% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.91% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.62% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.89% | 96.61% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.49% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.46% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.00% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.75% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.77% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.73% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.79% | 97.09% |
| CHEMBL5028 | O14672 | ADAM10 | 85.47% | 97.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.34% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.75% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.00% | 92.94% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.03% | 97.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.34% | 91.07% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.01% | 93.04% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.21% | 82.69% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.15% | 97.05% |
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.
| Viburnum dilatatum |
| PubChem | 163044835 |
| LOTUS | LTS0043459 |
| wikiData | Q104946133 |