(4R,6E,8E,10R,11R,12E)-13-bromo-10,11-dichloro-7,11-dimethyl-3-methylene-4-hydroxytrideca-6,8,12-trienoic acid
| Internal ID | 6f82e901-8e6f-4441-b416-b8f7f8db1710 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (4R,6E,8E,10R,11R,12E)-13-bromo-10,11-dichloro-4-hydroxy-7,11-dimethyl-3-methylidenetrideca-6,8,12-trienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H21BrCl2O3/c1-11(4-6-13(20)12(2)10-15(21)22)5-7-14(18)16(3,19)8-9-17/h4-5,7-9,13-14,20H,2,6,10H2,1,3H3,(H,21,22)/b7-5+,9-8+,11-4+/t13-,14-,16-/m1/s1 |
| InChI Key | DATQSAPMCPQONA-HYJHZUOBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H21BrCl2O3 |
| Molecular Weight | 412.10 g/mol |
| Exact Mass | 410.00511 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 4.40 |
| 13-bromo-10R,11R-dichloro-7,11-dimethyl-3-methylene-4R-hydroxy-6E,8E,12E-tridecatrienoic acid |
| LMPR0103010027 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 94.47% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.57% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.89% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.99% | 91.11% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 87.36% | 92.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.89% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.89% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.20% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.85% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.31% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.91% | 99.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.76% | 89.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.07% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.05% | 94.45% |
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 | 12044298 |
| LOTUS | LTS0189551 |
| wikiData | Q76422651 |