(4a,6-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl) 3-phenylprop-2-enoate
| Internal ID | 01ba3e9b-74a0-41e5-8a1a-b7345250703d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4a,6-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl) 3-phenylprop-2-enoate |
| SMILES (Canonical) | CC1C2C(CC3=C1C=CO3)C4(CCCC(C4(C(C2O)OC(=O)C=CC5=CC=CC=C5)O)(C)C)C |
| SMILES (Isomeric) | CC1C2C(CC3=C1C=CO3)C4(CCCC(C4(C(C2O)OC(=O)C=CC5=CC=CC=C5)O)(C)C)C |
| InChI | InChI=1S/C29H36O5/c1-18-20-13-16-33-22(20)17-21-24(18)25(31)26(29(32)27(2,3)14-8-15-28(21,29)4)34-23(30)12-11-19-9-6-5-7-10-19/h5-7,9-13,16,18,21,24-26,31-32H,8,14-15,17H2,1-4H3 |
| InChI Key | IGNZARMTFKDIDD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H36O5 |
| Molecular Weight | 464.60 g/mol |
| Exact Mass | 464.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 79.90 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of (4a,6-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl) 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/5068eb10-85ea-11ee-b234-fb01564f3a39.jpg "2D Structure of (4a,6-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl) 3-phenylprop-2-enoate")
| 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 | 98.88% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.73% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.07% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.70% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.41% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.27% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.12% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.06% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.63% | 97.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.53% | 96.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.43% | 91.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.16% | 90.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.49% | 93.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.04% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.79% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.35% | 95.50% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.16% | 83.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.24% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.79% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.50% | 97.50% |
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.
| Caesalpinia pulcherrima |
| PubChem | 78412640 |
| LOTUS | LTS0239196 |
| wikiData | Q105112735 |