4-(9-Hydroxy-3-{5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl[2,2'-bioxolan]-5-yl}-3,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)-3-methoxy-2-methylpentanoic acid
| Internal ID | 32d03373-d6bc-438c-95ae-be26fa245738 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Heterocyclic fatty acids |
| IUPAC Name | 4-[9-hydroxy-3-[5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H60O11/c1-18-12-20(3)35(40,16-36)46-27(18)25-13-19(2)30(43-25)33(8)11-10-26(44-33)32(7)15-34(42-17-32)14-24(37)21(4)29(45-34)22(5)28(41-9)23(6)31(38)39/h18-30,36-37,40H,10-17H2,1-9H3,(H,38,39) |
| InChI Key | LBWGERMKHCBCHA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H60O11 |
| Molecular Weight | 656.80 g/mol |
| Exact Mass | 656.41356273 g/mol |
| Topological Polar Surface Area (TPSA) | 153.00 Ų |
| XlogP | 3.70 |
| 4-(9-Hydroxy-3-{5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl[2,2'-bioxolan]-5-yl}-3,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)-3-methoxy-2-methylpentanoic acid |
![2D Structure of 4-(9-Hydroxy-3-{5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl[2,2'-bioxolan]-5-yl}-3,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)-3-methoxy-2-methylpentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/db1e8540-864b-11ee-af69-9365ad4f605a.jpg "2D Structure of 4-(9-Hydroxy-3-{5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl[2,2'-bioxolan]-5-yl}-3,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)-3-methoxy-2-methylpentanoic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.89% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.92% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.30% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.47% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.56% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.91% | 90.17% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 91.47% | 89.05% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.17% | 91.19% |
| CHEMBL204 | P00734 | Thrombin | 91.11% | 96.01% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.10% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.23% | 96.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.04% | 85.30% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.98% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.67% | 98.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.88% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.65% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.55% | 89.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.13% | 85.31% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.74% | 97.79% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 86.48% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.96% | 91.07% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.76% | 98.75% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.72% | 89.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.25% | 94.08% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.07% | 92.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.00% | 86.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.86% | 96.61% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.59% | 94.80% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.47% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.44% | 97.28% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.72% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.08% | 100.00% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.98% | 92.32% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.64% | 98.10% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 80.62% | 95.69% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.50% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.50% | 96.00% |
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.
| There are no matching plants. |
| PubChem | 3082312 |
| LOTUS | LTS0112146 |
| wikiData | Q82931492 |