14,15,16-Trihydroxy-4,11-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
| Internal ID | c5e2da26-02d4-4c21-8bdb-775d39974b4e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Quassinoids |
| IUPAC Name | 14,15,16-trihydroxy-4,11-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one |
| SMILES (Canonical) | CC12C(CC=C(C1=O)OC)CC3C4(C2C(C(C(C4CC(O3)OC)(C)O)O)O)C |
| SMILES (Isomeric) | CC12C(CC=C(C1=O)OC)CC3C4(C2C(C(C(C4CC(O3)OC)(C)O)O)O)C |
| InChI | InChI=1S/C21H32O7/c1-19-10(6-7-11(26-4)17(19)23)8-13-20(2)12(9-14(27-5)28-13)21(3,25)18(24)15(22)16(19)20/h7,10,12-16,18,22,24-25H,6,8-9H2,1-5H3 |
| InChI Key | OAAVHAREKKHECQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H32O7 |
| Molecular Weight | 396.50 g/mol |
| Exact Mass | 396.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 14,15,16-Trihydroxy-4,11-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/2ef372a0-8544-11ee-a0cf-afcb40693c3b.jpg "2D Structure of 14,15,16-Trihydroxy-4,11-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.40% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.91% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.82% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.24% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.71% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.15% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.74% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.86% | 97.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.32% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.85% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.60% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.25% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.71% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.94% | 99.23% |
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.
| Picrasma javanica |
| PubChem | 163043229 |
| LOTUS | LTS0127174 |
| wikiData | Q105188562 |