ethyl 3-[4'-[1-(2-hydroxy-4-methyl-5-oxofuran-2-yl)propan-2-yl]-1',4,4'-trimethyl-5-prop-1-en-2-ylspiro[3,3a,5,6-tetrahydro-2H-indene-1,5'-cyclopentene]-4-yl]propanoate
| Internal ID | a2432023-921f-42f3-b6a0-f7be859bd69f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | ethyl 3-[4'-[1-(2-hydroxy-4-methyl-5-oxofuran-2-yl)propan-2-yl]-1',4,4'-trimethyl-5-prop-1-en-2-ylspiro[3,3a,5,6-tetrahydro-2H-indene-1,5'-cyclopentene]-4-yl]propanoate |
| SMILES (Canonical) | CCOC(=O)CCC1(C2CCC3(C2=CCC1C(=C)C)C(=CCC3(C)C(C)CC4(C=C(C(=O)O4)C)O)C)C |
| SMILES (Isomeric) | CCOC(=O)CCC1(C2CCC3(C2=CCC1C(=C)C)C(=CCC3(C)C(C)CC4(C=C(C(=O)O4)C)O)C)C |
| InChI | InChI=1S/C32H46O5/c1-9-36-27(33)14-15-29(7)24(20(2)3)10-11-26-25(29)13-17-32(26)22(5)12-16-30(32,8)23(6)19-31(35)18-21(4)28(34)37-31/h11-12,18,23-25,35H,2,9-10,13-17,19H2,1,3-8H3 |
| InChI Key | GWTOQEBQDIMEKO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H46O5 |
| Molecular Weight | 510.70 g/mol |
| Exact Mass | 510.33452456 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of ethyl 3-[4'-[1-(2-hydroxy-4-methyl-5-oxofuran-2-yl)propan-2-yl]-1',4,4'-trimethyl-5-prop-1-en-2-ylspiro[3,3a,5,6-tetrahydro-2H-indene-1,5'-cyclopentene]-4-yl]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/0b8dd6e0-8467-11ee-8bda-3d945b20fd4c.jpg "2D Structure of ethyl 3-[4'-[1-(2-hydroxy-4-methyl-5-oxofuran-2-yl)propan-2-yl]-1',4,4'-trimethyl-5-prop-1-en-2-ylspiro[3,3a,5,6-tetrahydro-2H-indene-1,5'-cyclopentene]-4-yl]propanoate")
| 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 | 99.22% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.99% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.62% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.52% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.23% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.45% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.48% | 96.61% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.39% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.12% | 96.77% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.41% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.36% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.11% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.95% | 86.33% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 86.65% | 80.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.51% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.36% | 92.62% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 86.36% | 97.28% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.12% | 97.21% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.56% | 94.80% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.32% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.96% | 96.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.56% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.51% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.31% | 90.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.97% | 92.50% |
| CHEMBL5028 | O14672 | ADAM10 | 81.59% | 97.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.08% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.00% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.67% | 91.07% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.59% | 96.47% |
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.
| Abies sachalinensis |
| PubChem | 163041573 |
| LOTUS | LTS0118021 |
| wikiData | Q105022742 |