2-[(3,4-Dihydroxy-5-methoxy-6-methyloxan-2-yl)oxymethyl]-9-formyl-5-methyl-12-oxo-13-propan-2-ylidenetetracyclo[7.4.0.02,11.04,8]tridecane-1-carboxylic acid
| Internal ID | 478353a7-ffce-46c1-934d-dadc25e2051e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | 2-[(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxymethyl]-9-formyl-5-methyl-12-oxo-13-propan-2-ylidenetetracyclo[7.4.0.02,11.04,8]tridecane-1-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H38O9/c1-12(2)18-19(29)17-9-25(10-28)16-7-6-13(3)15(16)8-26(17,27(18,25)24(32)33)11-35-23-21(31)20(30)22(34-5)14(4)36-23/h10,13-17,20-23,30-31H,6-9,11H2,1-5H3,(H,32,33) |
| InChI Key | NDEIUYRUUIQFMO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H38O9 |
| Molecular Weight | 506.60 g/mol |
| Exact Mass | 506.25158279 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of 2-[(3,4-Dihydroxy-5-methoxy-6-methyloxan-2-yl)oxymethyl]-9-formyl-5-methyl-12-oxo-13-propan-2-ylidenetetracyclo[7.4.0.02,11.04,8]tridecane-1-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/6747f930-85b6-11ee-ab01-07d1070e4339.jpg "2D Structure of 2-[(3,4-Dihydroxy-5-methoxy-6-methyloxan-2-yl)oxymethyl]-9-formyl-5-methyl-12-oxo-13-propan-2-ylidenetetracyclo[7.4.0.02,11.04,8]tridecane-1-carboxylic 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.12% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.43% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.90% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.57% | 96.77% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.07% | 97.36% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.18% | 86.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.14% | 93.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.49% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.23% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.03% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.97% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.57% | 91.19% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.43% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.87% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.04% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.17% | 90.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.15% | 94.33% |
| CHEMBL5028 | O14672 | ADAM10 | 81.71% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.56% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.26% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.64% | 99.17% |
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 | 163065729 |
| LOTUS | LTS0039512 |
| wikiData | Q104172342 |