(1S,2R,5S,7R,11R,12S,13R)-2-hydroxy-16-(hydroxymethyl)-2,7,11-trimethyl-6,14,19-trioxatetracyclo[10.6.1.05,7.013,17]nonadec-16-en-15-one
| Internal ID | a7fef7cb-3b7b-4d12-b725-64a0382f8c3e |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1S,2R,5S,7R,11R,12S,13R)-2-hydroxy-16-(hydroxymethyl)-2,7,11-trimethyl-6,14,19-trioxatetracyclo[10.6.1.05,7.013,17]nonadec-16-en-15-one |
| SMILES (Canonical) | CC1CCCC2(C(O2)CCC(C3CC4=C(C(=O)OC4C1O3)CO)(C)O)C |
| SMILES (Isomeric) | C[C@@H]1CCC[C@@]2([C@@H](O2)CC[C@@]([C@@H]3CC4=C(C(=O)O[C@H]4[C@H]1O3)CO)(C)O)C |
| InChI | InChI=1S/C20H30O6/c1-11-5-4-7-20(3)14(26-20)6-8-19(2,23)15-9-12-13(10-21)18(22)25-17(12)16(11)24-15/h11,14-17,21,23H,4-10H2,1-3H3/t11-,14+,15+,16+,17-,19-,20-/m1/s1 |
| InChI Key | AFHMRMOLJSAPOS-WWVUBRARSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O6 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 88.50 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (1S,2R,5S,7R,11R,12S,13R)-2-hydroxy-16-(hydroxymethyl)-2,7,11-trimethyl-6,14,19-trioxatetracyclo[10.6.1.05,7.013,17]nonadec-16-en-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/691d77b0-8576-11ee-befa-e9b75669e33a.jpg "2D Structure of (1S,2R,5S,7R,11R,12S,13R)-2-hydroxy-16-(hydroxymethyl)-2,7,11-trimethyl-6,14,19-trioxatetracyclo[10.6.1.05,7.013,17]nonadec-16-en-15-one")
| 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 | 93.75% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.93% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.63% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.65% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.42% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.95% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.84% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.17% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.77% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.27% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.48% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.25% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.03% | 86.92% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.59% | 93.99% |
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 | 10618909 |
| LOTUS | LTS0217709 |
| wikiData | Q104911229 |