5-(1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-[[3-[2-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]-2,5-dioxopyrrol-1-yl]methylidene]pentanoic acid
| Internal ID | 2fc2093c-a9d5-4483-8c5f-9f8ec65d69bc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | 5-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-[[3-[2-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]-2,5-dioxopyrrol-1-yl]methylidene]pentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H59NO4/c1-26-11-9-13-32-37(26,5)19-15-28(3)39(32,7)21-17-30(23-35(43)44)25-41-34(42)24-31(36(41)45)18-22-40(8)29(4)16-20-38(6)27(2)12-10-14-33(38)40/h11-12,24-25,28-29,32-33H,9-10,13-23H2,1-8H3,(H,43,44) |
| InChI Key | UYFSTAMGNLMQPQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H59NO4 |
| Molecular Weight | 617.90 g/mol |
| Exact Mass | 617.44440936 g/mol |
| Topological Polar Surface Area (TPSA) | 74.70 Ų |
| XlogP | 10.20 |
| There are no found synonyms. |
![2D Structure of 5-(1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-[[3-[2-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]-2,5-dioxopyrrol-1-yl]methylidene]pentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/afa2f450-87c7-11ee-8f15-df6aa306f1df.jpg "2D Structure of 5-(1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-[[3-[2-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]-2,5-dioxopyrrol-1-yl]methylidene]pentanoic 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.37% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.21% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.65% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.62% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.50% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.13% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.91% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.85% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.51% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.64% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.34% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.21% | 90.71% |
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 | 75245812 |
| LOTUS | LTS0133187 |
| wikiData | Q105281386 |