(8Z)-4-hydroxy-8-[hydroxy(phenyl)methylidene]-4-methyl-1,3,6-tris(3-methylbut-2-enyl)bicyclo[4.3.1]decane-7,10-dione
| Internal ID | 207ae28a-ce7a-4473-ad7e-0d5add13dd2a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | (8Z)-4-hydroxy-8-[hydroxy(phenyl)methylidene]-4-methyl-1,3,6-tris(3-methylbut-2-enyl)bicyclo[4.3.1]decane-7,10-dione |
| SMILES (Canonical) | CC(=CCC1CC2(CC(=C(C3=CC=CC=C3)O)C(=O)C(C2=O)(CC1(C)O)CC=C(C)C)CC=C(C)C)C |
| SMILES (Isomeric) | CC(=CCC1CC2(C/C(=C(\C3=CC=CC=C3)/O)/C(=O)C(C2=O)(CC1(C)O)CC=C(C)C)CC=C(C)C)C |
| InChI | InChI=1S/C33H44O4/c1-22(2)13-14-26-19-32(17-15-23(3)4)20-27(28(34)25-11-9-8-10-12-25)29(35)33(30(32)36,18-16-24(5)6)21-31(26,7)37/h8-13,15-16,26,34,37H,14,17-21H2,1-7H3/b28-27- |
| InChI Key | NJYJWUQFVIEYHG-DQSJHHFOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H44O4 |
| Molecular Weight | 504.70 g/mol |
| Exact Mass | 504.32395988 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
![2D Structure of (8Z)-4-hydroxy-8-[hydroxy(phenyl)methylidene]-4-methyl-1,3,6-tris(3-methylbut-2-enyl)bicyclo[4.3.1]decane-7,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/7c99a960-881b-11ee-8359-13a4cad90d1c.jpg "2D Structure of (8Z)-4-hydroxy-8-[hydroxy(phenyl)methylidene]-4-methyl-1,3,6-tris(3-methylbut-2-enyl)bicyclo[4.3.1]decane-7,10-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.34% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.46% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.59% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.64% | 90.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.27% | 93.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.13% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.82% | 91.49% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.42% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.32% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.48% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.98% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.86% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.57% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.49% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.06% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.78% | 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 nemorosa |
| PubChem | 101744963 |
| LOTUS | LTS0187393 |
| wikiData | Q105180383 |