2-Methyl-5-(2,7,10,13-tetramethyl-7-tetracyclo[10.3.0.01,5.06,10]pentadec-11-enyl)pentane-1,2,3,4-tetrol
| Internal ID | 18ad141c-f0a1-4d8a-8ef5-366a9a62a45c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Iridoids and derivatives |
| IUPAC Name | 2-methyl-5-(2,7,10,13-tetramethyl-7-tetracyclo[10.3.0.01,5.06,10]pentadec-11-enyl)pentane-1,2,3,4-tetrol |
| SMILES (Canonical) | CC1CCC23C1=CC4(CCC(C4C2CCC3C)(C)CC(C(C(C)(CO)O)O)O)C |
| SMILES (Isomeric) | CC1CCC23C1=CC4(CCC(C4C2CCC3C)(C)CC(C(C(C)(CO)O)O)O)C |
| InChI | InChI=1S/C25H42O4/c1-15-8-9-25-16(2)6-7-17(25)20-22(3,12-18(15)25)10-11-23(20,4)13-19(27)21(28)24(5,29)14-26/h12,15-17,19-21,26-29H,6-11,13-14H2,1-5H3 |
| InChI Key | PTEFDUPVJURSMS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H42O4 |
| Molecular Weight | 406.60 g/mol |
| Exact Mass | 406.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 2-Methyl-5-(2,7,10,13-tetramethyl-7-tetracyclo[10.3.0.01,5.06,10]pentadec-11-enyl)pentane-1,2,3,4-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/a1018a80-8658-11ee-98f2-85c534c3dc3f.jpg "2D Structure of 2-Methyl-5-(2,7,10,13-tetramethyl-7-tetracyclo[10.3.0.01,5.06,10]pentadec-11-enyl)pentane-1,2,3,4-tetrol")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.83% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.39% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.93% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.33% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.14% | 97.09% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 84.36% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.21% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.12% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.82% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.78% | 97.79% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.71% | 96.43% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.70% | 91.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.44% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.31% | 97.93% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.07% | 97.14% |
| CHEMBL3837 | P07711 | Cathepsin L | 81.46% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.16% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.73% | 95.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 85128602 |
| LOTUS | LTS0240869 |
| wikiData | Q104195406 |