10-[2-[5-Carboxy-1-(3-carboxypropanoyloxy)-4-methylpenta-2,4-dienyl]-2-hexyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
| Internal ID | d1723058-4d76-4f32-91f6-f386cd95d329 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | 10-[2-[5-carboxy-1-(3-carboxypropanoyloxy)-4-methylpenta-2,4-dienyl]-2-hexyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid |
| SMILES (Canonical) | CCCCCCC1(CCC2(O1)CCC(C(O2)CC=C(C)C=CC(C(C)C=CC(=O)O)O)C)C(C=CC(=CC(=O)O)C)OC(=O)CCC(=O)O |
| SMILES (Isomeric) | CCCCCCC1(CCC2(O1)CCC(C(O2)CC=C(C)C=CC(C(C)C=CC(=O)O)O)C)C(C=CC(=CC(=O)O)C)OC(=O)CCC(=O)O |
| InChI | InChI=1S/C38H56O11/c1-6-7-8-9-21-37(32(16-12-27(3)25-35(44)45)47-36(46)19-18-34(42)43)23-24-38(49-37)22-20-29(5)31(48-38)15-11-26(2)10-14-30(39)28(4)13-17-33(40)41/h10-14,16-17,25,28-32,39H,6-9,15,18-24H2,1-5H3,(H,40,41)(H,42,43)(H,44,45) |
| InChI Key | XMGURGIMJAMEES-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H56O11 |
| Molecular Weight | 688.80 g/mol |
| Exact Mass | 688.38226260 g/mol |
| Topological Polar Surface Area (TPSA) | 177.00 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of 10-[2-[5-Carboxy-1-(3-carboxypropanoyloxy)-4-methylpenta-2,4-dienyl]-2-hexyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/6c164c40-83b1-11ee-a99d-5bf96309394c.jpg "2D Structure of 10-[2-[5-Carboxy-1-(3-carboxypropanoyloxy)-4-methylpenta-2,4-dienyl]-2-hexyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid")
| 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 | 97.54% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.16% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.63% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.51% | 90.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.93% | 96.61% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.46% | 93.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 93.67% | 98.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.44% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.64% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 92.46% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.01% | 97.93% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.86% | 89.63% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 89.76% | 91.67% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.22% | 92.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.45% | 96.47% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.31% | 97.14% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 87.05% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.84% | 91.19% |
| CHEMBL3776 | Q14790 | Caspase-8 | 86.79% | 97.06% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 86.67% | 95.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.40% | 82.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.87% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.80% | 89.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.75% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.88% | 92.86% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.57% | 98.75% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.79% | 99.35% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 81.78% | 95.27% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.61% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.65% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.52% | 97.09% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 80.37% | 100.00% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 80.07% | 92.12% |
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.
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| There are no matching plants. |
| PubChem | 76006645 |
| LOTUS | LTS0073798 |
| wikiData | Q104201133 |