methyl 5-[(1R,2S,3R,4R,4aR,8aR)-3-hydroxy-1,2,4a,5-tetramethyl-4-[(E)-3-phenylprop-2-enoyl]oxy-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylidene-4-oxopentanoate
| Internal ID | d3f7bcea-99f3-466e-9972-678331141e37 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | methyl 5-[(1R,2S,3R,4R,4aR,8aR)-3-hydroxy-1,2,4a,5-tetramethyl-4-[(E)-3-phenylprop-2-enoyl]oxy-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylidene-4-oxopentanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H38O6/c1-19(17-26(33)35-6)23(31)18-29(4)21(3)27(34)28(30(5)20(2)11-10-14-24(29)30)36-25(32)16-15-22-12-8-7-9-13-22/h7-9,11-13,15-16,21,24,27-28,34H,1,10,14,17-18H2,2-6H3/b16-15+/t21-,24-,27-,28+,29+,30+/m1/s1 |
| InChI Key | GNIIZEDYOFXUJV-GBOSTOGDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H38O6 |
| Molecular Weight | 494.60 g/mol |
| Exact Mass | 494.26683893 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of methyl 5-[(1R,2S,3R,4R,4aR,8aR)-3-hydroxy-1,2,4a,5-tetramethyl-4-[(E)-3-phenylprop-2-enoyl]oxy-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylidene-4-oxopentanoate](https://plantaedb.com/storage/docs/compounds/2023/11/196804d0-82ba-11ee-984e-6bf51ebbb0dc.jpg "2D Structure of methyl 5-[(1R,2S,3R,4R,4aR,8aR)-3-hydroxy-1,2,4a,5-tetramethyl-4-[(E)-3-phenylprop-2-enoyl]oxy-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylidene-4-oxopentanoate")
| 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 | 98.95% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.10% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.83% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.40% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.16% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.38% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.46% | 90.17% |
| CHEMBL5028 | O14672 | ADAM10 | 91.53% | 97.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.22% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.56% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.54% | 93.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.95% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.05% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.05% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.05% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.87% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.27% | 94.73% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.86% | 91.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.07% | 90.00% |
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.
| There are no matching plants. |
| PubChem | 11847503 |
| LOTUS | LTS0194333 |
| wikiData | Q105012573 |