3-[(3R,4R,5S,6R,7Z,10S)-3-[(3E,5E)-6,10-dimethylundeca-1,3,5,9-tetraen-2-yl]-4,10-dihydroxy-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl]propyl decanoate
| Internal ID | c5dc2770-93f0-4001-a965-bc2bca717cee |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | 3-[(3R,4R,5S,6R,7Z,10S)-3-[(3E,5E)-6,10-dimethylundeca-1,3,5,9-tetraen-2-yl]-4,10-dihydroxy-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl]propyl decanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H64O5/c1-8-9-10-11-12-13-14-23-37(42)45-28-17-22-36-34(33(6)29-41)24-26-39(7,44)40(36)27-25-35(38(40)43)32(5)21-16-20-31(4)19-15-18-30(2)3/h16,18,20-21,29,35-36,38,43-44H,5,8-15,17,19,22-28H2,1-4,6-7H3/b21-16+,31-20+,34-33-/t35-,36-,38-,39+,40+/m1/s1 |
| InChI Key | STJFJPTXDBOCEX-AAKUDDPDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H64O5 |
| Molecular Weight | 624.90 g/mol |
| Exact Mass | 624.47537514 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 10.10 |
| There are no found synonyms. |
![2D Structure of 3-[(3R,4R,5S,6R,7Z,10S)-3-[(3E,5E)-6,10-dimethylundeca-1,3,5,9-tetraen-2-yl]-4,10-dihydroxy-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl]propyl decanoate](https://plantaedb.com/storage/docs/compounds/2023/11/597234d0-852d-11ee-9485-b1e4967909ac.jpg "2D Structure of 3-[(3R,4R,5S,6R,7Z,10S)-3-[(3E,5E)-6,10-dimethylundeca-1,3,5,9-tetraen-2-yl]-4,10-dihydroxy-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl]propyl decanoate")
| 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 | 98.03% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 97.88% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.96% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.65% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.76% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 93.09% | 85.94% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 92.97% | 91.24% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.74% | 98.03% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 92.18% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.45% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.30% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.14% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.47% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.45% | 93.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.46% | 92.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.17% | 92.86% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.73% | 91.19% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.51% | 97.29% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 88.41% | 96.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.15% | 92.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.10% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.06% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.00% | 94.33% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 84.30% | 91.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.77% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.59% | 93.56% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.44% | 95.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.31% | 97.25% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.61% | 97.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.50% | 96.90% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.20% | 95.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.89% | 89.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.15% | 92.88% |
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.
| Iris pseudacorus |
| PubChem | 162949266 |
| LOTUS | LTS0090779 |
| wikiData | Q105260289 |