(2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[(2S,3S,8R)-3-(4-hydroxy-3-methoxyphenyl)-6-methyl-8-(6-methylhept-5-en-2-yl)-2-bicyclo[2.2.2]oct-5-enyl]penta-2,4-dien-1-one
| Internal ID | 1f8fab89-e16e-4aab-bc41-0a3564af5568 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | (2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[(2S,3S,8R)-3-(4-hydroxy-3-methoxyphenyl)-6-methyl-8-(6-methylhept-5-en-2-yl)-2-bicyclo[2.2.2]oct-5-enyl]penta-2,4-dien-1-one |
| SMILES (Canonical) | CC1=CC2C(CC1C(C2C3=CC(=C(C=C3)O)OC)C(=O)C=C(C=CC4=CC(=C(C=C4)O)OC)O)C(C)CCC=C(C)C |
| SMILES (Isomeric) | CC1=CC2[C@H](CC1[C@@H]([C@H]2C3=CC(=C(C=C3)O)OC)C(=O)/C=C(/C=C/C4=CC(=C(C=C4)O)OC)\O)C(C)CCC=C(C)C |
| InChI | InChI=1S/C36H44O6/c1-21(2)8-7-9-22(3)27-20-28-23(4)16-29(27)35(25-12-15-31(39)34(18-25)42-6)36(28)32(40)19-26(37)13-10-24-11-14-30(38)33(17-24)41-5/h8,10-19,22,27-29,35-39H,7,9,20H2,1-6H3/b13-10+,26-19-/t22?,27-,28?,29?,35+,36-/m1/s1 |
| InChI Key | VYQSPYUOLZWETA-YJJQOZCHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H44O6 |
| Molecular Weight | 572.70 g/mol |
| Exact Mass | 572.31378912 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 8.10 |
| There are no found synonyms. |
![2D Structure of (2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[(2S,3S,8R)-3-(4-hydroxy-3-methoxyphenyl)-6-methyl-8-(6-methylhept-5-en-2-yl)-2-bicyclo[2.2.2]oct-5-enyl]penta-2,4-dien-1-one](https://plantaedb.com/storage/docs/compounds/2023/07/terpecurcumin-o.jpg "2D Structure of (2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[(2S,3S,8R)-3-(4-hydroxy-3-methoxyphenyl)-6-methyl-8-(6-methylhept-5-en-2-yl)-2-bicyclo[2.2.2]oct-5-enyl]penta-2,4-dien-1-one")
| 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 | 98.96% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.92% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.43% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.37% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.66% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.43% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.84% | 89.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.60% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.21% | 85.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 91.61% | 89.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.31% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.28% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.74% | 95.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.58% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.45% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.71% | 99.15% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.63% | 93.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.97% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.91% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.25% | 95.89% |
| CHEMBL3194 | P02766 | Transthyretin | 83.00% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.84% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.40% | 92.62% |
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.
| Curcuma longa |