3-(6,10-Dimethylundeca-3,5,7,9-tetraen-2-ylidene)-7-hydroxy-3a,6,9a-trimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalene-6-carboxylic acid
| Internal ID | 3f9c46f8-e839-487e-b4ed-79531145fafa |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3-(6,10-dimethylundeca-3,5,7,9-tetraen-2-ylidene)-7-hydroxy-3a,6,9a-trimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalene-6-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H42O4/c1-19(2)10-8-11-20(3)12-9-13-21(4)26-22(31)18-24-28(5)17-15-25(32)30(7,27(33)34)23(28)14-16-29(24,26)6/h8-13,23-25,32H,14-18H2,1-7H3,(H,33,34) |
| InChI Key | KBUMELUPIHERGI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H42O4 |
| Molecular Weight | 466.70 g/mol |
| Exact Mass | 466.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 8.00 |
| There are no found synonyms. |
![2D Structure of 3-(6,10-Dimethylundeca-3,5,7,9-tetraen-2-ylidene)-7-hydroxy-3a,6,9a-trimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalene-6-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/0d93fca0-85b2-11ee-8e79-cd77655ff91c.jpg "2D Structure of 3-(6,10-Dimethylundeca-3,5,7,9-tetraen-2-ylidene)-7-hydroxy-3a,6,9a-trimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalene-6-carboxylic 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.77% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.23% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.17% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.52% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.45% | 83.82% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.80% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.70% | 93.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.15% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.92% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.82% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.81% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.42% | 86.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.22% | 93.04% |
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.
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| There are no matching plants. |
| PubChem | 73005070 |
| LOTUS | LTS0097868 |
| wikiData | Q105138527 |