(14E)-10-hydroxy-8-[(4E,6E,8E)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]henicos-14-ene-6,19-dione
| Internal ID | 6c5b118b-c147-4835-9d9a-b0d3b3725ffe |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (14E)-10-hydroxy-8-[(4E,6E,8E)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]henicos-14-ene-6,19-dione |
| SMILES (Canonical) | CC1C=CC2C(O2)(C(CC(OC(=O)C3C(O3)CC4CC1OC(=O)C4)C(C)C(C(=CC=CC(=CC5=COC(=N5)C)C)C)O)O)C |
| SMILES (Isomeric) | CC1/C=C/C2C(O2)(C(CC(OC(=O)C3C(O3)CC4CC1OC(=O)C4)C(C)C(/C(=C/C=C/C(=C/C5=COC(=N5)C)/C)/C)O)O)C |
| InChI | InChI=1S/C34H45NO9/c1-18(12-24-17-40-22(5)35-24)8-7-9-20(3)31(38)21(4)26-16-28(36)34(6)29(44-34)11-10-19(2)25-13-23(15-30(37)41-25)14-27-32(42-27)33(39)43-26/h7-12,17,19,21,23,25-29,31-32,36,38H,13-16H2,1-6H3/b8-7+,11-10+,18-12+,20-9+ |
| InChI Key | NOEAMSXJEJBZJF-OSJBENALSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H45NO9 |
| Molecular Weight | 611.70 g/mol |
| Exact Mass | 611.30943201 g/mol |
| Topological Polar Surface Area (TPSA) | 144.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of (14E)-10-hydroxy-8-[(4E,6E,8E)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]henicos-14-ene-6,19-dione](https://plantaedb.com/storage/docs/compounds/2023/11/c2de0e30-86f7-11ee-a37b-0d18bb8df4fd.jpg "2D Structure of (14E)-10-hydroxy-8-[(4E,6E,8E)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]henicos-14-ene-6,19-dione")
| 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 | 98.22% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.71% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.69% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.10% | 97.79% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.24% | 94.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.79% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.53% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.33% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.96% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.09% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.76% | 89.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.05% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.52% | 98.95% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.49% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.82% | 89.34% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.44% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.03% | 94.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.99% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.34% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.83% | 83.82% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.81% | 100.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.03% | 96.39% |
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 | 102149246 |
| LOTUS | LTS0128632 |
| wikiData | Q105182523 |