7-Hydroxy-8-[hydroxy(phenyl)methylidene]-6-methyl-1,3,5-tris(3-methylbut-2-enyl)tricyclo[4.3.1.03,7]decane-2,9-dione
| Internal ID | bc3390f4-f4d4-4a78-98d2-66c36a0cc7e2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | 7-hydroxy-8-[hydroxy(phenyl)methylidene]-6-methyl-1,3,5-tris(3-methylbut-2-enyl)tricyclo[4.3.1.03,7]decane-2,9-dione |
| SMILES (Canonical) | CC(=CCC1CC2(C(=O)C3(CC1(C2(C(=C(C4=CC=CC=C4)O)C3=O)O)C)CC=C(C)C)CC=C(C)C)C |
| SMILES (Isomeric) | CC(=CCC1CC2(C(=O)C3(CC1(C2(C(=C(C4=CC=CC=C4)O)C3=O)O)C)CC=C(C)C)CC=C(C)C)C |
| InChI | InChI=1S/C33H42O4/c1-21(2)13-14-25-19-32(18-16-23(5)6)29(36)31(17-15-22(3)4)20-30(25,7)33(32,37)26(28(31)35)27(34)24-11-9-8-10-12-24/h8-13,15-16,25,34,37H,14,17-20H2,1-7H3 |
| InChI Key | SEJBFXIKYPRBLV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H42O4 |
| Molecular Weight | 502.70 g/mol |
| Exact Mass | 502.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of 7-Hydroxy-8-[hydroxy(phenyl)methylidene]-6-methyl-1,3,5-tris(3-methylbut-2-enyl)tricyclo[4.3.1.03,7]decane-2,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/99d301f0-8600-11ee-b121-d738d708db0e.jpg "2D Structure of 7-Hydroxy-8-[hydroxy(phenyl)methylidene]-6-methyl-1,3,5-tris(3-methylbut-2-enyl)tricyclo[4.3.1.03,7]decane-2,9-dione")
| 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 | 96.45% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.62% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.47% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.68% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.60% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.21% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.27% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.14% | 99.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.99% | 94.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.94% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.66% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.84% | 93.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.54% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.51% | 85.14% |
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.
| Clusia multiflora |
| PubChem | 162898558 |
| LOTUS | LTS0271261 |
| wikiData | Q105251225 |