(2E,6E,9R,12Z)-12-[3-(furan-3-yl)propylidene]-6-methyl-2-(4-methylpent-3-enyl)-9-prop-1-en-2-yltrideca-2,6-dienedioic acid
| Internal ID | 561ba284-bd82-492c-9163-945b0b3c7cb5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (2E,6E,9R,12Z)-12-[3-(furan-3-yl)propylidene]-6-methyl-2-(4-methylpent-3-enyl)-9-prop-1-en-2-yltrideca-2,6-dienedioic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H42O5/c1-22(2)9-6-12-27(29(31)32)13-7-10-24(5)15-16-26(23(3)4)17-18-28(30(33)34)14-8-11-25-19-20-35-21-25/h9,13-15,19-21,26H,3,6-8,10-12,16-18H2,1-2,4-5H3,(H,31,32)(H,33,34)/b24-15+,27-13+,28-14-/t26-/m0/s1 |
| InChI Key | PSYNZADZAGHIJM-JXVMIWDYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H42O5 |
| Molecular Weight | 482.60 g/mol |
| Exact Mass | 482.30322444 g/mol |
| Topological Polar Surface Area (TPSA) | 87.70 Ų |
| XlogP | 8.20 |
| There are no found synonyms. |
![2D Structure of (2E,6E,9R,12Z)-12-[3-(furan-3-yl)propylidene]-6-methyl-2-(4-methylpent-3-enyl)-9-prop-1-en-2-yltrideca-2,6-dienedioic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2c120d00-8630-11ee-9fc0-195f4bf10b86.jpg "2D Structure of (2E,6E,9R,12Z)-12-[3-(furan-3-yl)propylidene]-6-methyl-2-(4-methylpent-3-enyl)-9-prop-1-en-2-yltrideca-2,6-dienedioic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.05% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.28% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.58% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.16% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.98% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.95% | 96.09% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 85.54% | 92.51% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.63% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.78% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.24% | 90.71% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.51% | 92.08% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.52% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.47% | 95.56% |
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.
| Cupaniopsis trigonocarpa |
| PubChem | 163189061 |
| LOTUS | LTS0099208 |
| wikiData | Q105214469 |