[(E)-3-(4-hydroxyphenyl)prop-2-enoyl] (1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
| Internal ID | 3bad9b0b-4e03-4c5b-a687-844ce2e7cbc8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [(E)-3-(4-hydroxyphenyl)prop-2-enoyl] (1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H38O5/c1-6-20(2)8-14-24-27(3)17-7-18-28(4,23(27)16-19-29(24,5)33)26(32)34-25(31)15-11-21-9-12-22(30)13-10-21/h6,9-13,15,23-24,30,33H,1-2,7-8,14,16-19H2,3-5H3/b15-11+/t23-,24-,27+,28+,29-/m1/s1 |
| InChI Key | VHWCBTIGFYIWEG-LYXGPFFNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H38O5 |
| Molecular Weight | 466.60 g/mol |
| Exact Mass | 466.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of [(E)-3-(4-hydroxyphenyl)prop-2-enoyl] (1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/c4b73370-8582-11ee-98e2-bdc3109870b4.jpg "2D Structure of [(E)-3-(4-hydroxyphenyl)prop-2-enoyl] (1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.83% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.75% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.43% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.99% | 96.09% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 94.58% | 97.64% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.47% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.83% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.77% | 91.49% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 90.19% | 98.35% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.99% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.71% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.18% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.95% | 100.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.96% | 91.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.15% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.74% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.66% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.47% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.72% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.48% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.28% | 94.75% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.97% | 97.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.74% | 92.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.70% | 100.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.62% | 89.67% |
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.
| Calocedrus formosana |
| PubChem | 163189391 |
| LOTUS | LTS0032153 |
| wikiData | Q105286651 |