(4S,6S,9S,11E)-6,12-dimethyl-9-prop-1-en-2-yl-5,15-dioxatricyclo[12.2.1.04,6]heptadeca-1(16),11,14(17)-triene
| Internal ID | d2e8e0c1-e43c-4e64-b3bb-1d39956c3bb6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (4S,6S,9S,11E)-6,12-dimethyl-9-prop-1-en-2-yl-5,15-dioxatricyclo[12.2.1.04,6]heptadeca-1(16),11,14(17)-triene |
| SMILES (Canonical) | CC1=CCC(CCC2(C(O2)CCC3=COC(=C3)C1)C)C(=C)C |
| SMILES (Isomeric) | C/C/1=C\C[C@H](CC[C@]2([C@@H](O2)CCC3=COC(=C3)C1)C)C(=C)C |
| InChI | InChI=1S/C20H28O2/c1-14(2)17-7-5-15(3)11-18-12-16(13-21-18)6-8-19-20(4,22-19)10-9-17/h5,12-13,17,19H,1,6-11H2,2-4H3/b15-5+/t17-,19+,20+/m1/s1 |
| InChI Key | JXMYPXXVMMCMHX-UAJUDQHZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H28O2 |
| Molecular Weight | 300.40 g/mol |
| Exact Mass | 300.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 25.70 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of (4S,6S,9S,11E)-6,12-dimethyl-9-prop-1-en-2-yl-5,15-dioxatricyclo[12.2.1.04,6]heptadeca-1(16),11,14(17)-triene](https://plantaedb.com/storage/docs/compounds/2023/11/22470380-8689-11ee-9a81-db5c16fd97fa.jpg "2D Structure of (4S,6S,9S,11E)-6,12-dimethyl-9-prop-1-en-2-yl-5,15-dioxatricyclo[12.2.1.04,6]heptadeca-1(16),11,14(17)-triene")
| 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 | 97.74% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.97% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.71% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.76% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.36% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.08% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.41% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.13% | 89.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.54% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.13% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.11% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.86% | 100.00% |
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.
| Aster brevis |
| Calophyllum inophyllum |
| Calophyllum tomentosum |
| PubChem | 162918389 |
| LOTUS | LTS0058739 |
| wikiData | Q104964145 |