(1R,5R,6R,9R,10R,13S,14R,16R)-13-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-6-(2-hydroxypropan-2-yl)-5,9,10-trimethyl-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-3-one
| Internal ID | 659cbceb-b3ac-41ea-966c-9865b54227e1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | (1R,5R,6R,9R,10R,13S,14R,16R)-13-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-6-(2-hydroxypropan-2-yl)-5,9,10-trimethyl-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)O)C)C)O)C |
| SMILES (Isomeric) | CC(=CC(=O)C[C@](C)([C@H]1CC[C@@]2([C@@H]1C[C@@H]3[C@H]4[C@]2(CC[C@H]([C@@]4(CC(=O)O3)C)C(C)(C)O)C)C)O)C |
| InChI | InChI=1S/C29H46O5/c1-17(2)13-18(30)15-29(8,33)19-9-11-27(6)20(19)14-21-24-26(5,16-23(31)34-21)22(25(3,4)32)10-12-28(24,27)7/h13,19-22,24,32-33H,9-12,14-16H2,1-8H3/t19-,20+,21+,22-,24+,26-,27+,28+,29+/m0/s1 |
| InChI Key | AWMUQVARSMJTKO-RQDDGMCJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H46O5 |
| Molecular Weight | 474.70 g/mol |
| Exact Mass | 474.33452456 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of (1R,5R,6R,9R,10R,13S,14R,16R)-13-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-6-(2-hydroxypropan-2-yl)-5,9,10-trimethyl-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/9938b880-85d5-11ee-8134-b9245a695aee.jpg "2D Structure of (1R,5R,6R,9R,10R,13S,14R,16R)-13-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-6-(2-hydroxypropan-2-yl)-5,9,10-trimethyl-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 | 98.73% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.04% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.78% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.26% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.83% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.43% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.39% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.37% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.80% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.59% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.33% | 96.61% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.25% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.07% | 97.79% |
| CHEMBL5028 | O14672 | ADAM10 | 84.02% | 97.50% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.41% | 95.71% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.99% | 93.04% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.22% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.20% | 97.14% |
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 | 15343648 |
| LOTUS | LTS0029696 |
| wikiData | Q104920138 |