6-Hydroxy-3-[4-(4-hydroxy-3,5-dimethoxyphenyl)-3-oxobutan-2-yl]-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
| Internal ID | 5c0ae238-172c-48ff-9e00-e774af707c8c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | 6-hydroxy-3-[4-(4-hydroxy-3,5-dimethoxyphenyl)-3-oxobutan-2-yl]-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one |
| SMILES (Canonical) | CC1C(CCC2C1(C=C(C(=O)C2)C(C)C(=O)CC3=CC(=C(C(=C3)OC)O)OC)C)O |
| SMILES (Isomeric) | CC1C(CCC2C1(C=C(C(=O)C2)C(C)C(=O)CC3=CC(=C(C(=C3)OC)O)OC)C)O |
| InChI | InChI=1S/C24H32O6/c1-13(19(26)8-15-9-21(29-4)23(28)22(10-15)30-5)17-12-24(3)14(2)18(25)7-6-16(24)11-20(17)27/h9-10,12-14,16,18,25,28H,6-8,11H2,1-5H3 |
| InChI Key | SCKJXYAOEGVQOP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H32O6 |
| Molecular Weight | 416.50 g/mol |
| Exact Mass | 416.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 6-Hydroxy-3-[4-(4-hydroxy-3,5-dimethoxyphenyl)-3-oxobutan-2-yl]-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/1d8b00e0-865b-11ee-becb-3dde901d6cf4.jpg "2D Structure of 6-Hydroxy-3-[4-(4-hydroxy-3,5-dimethoxyphenyl)-3-oxobutan-2-yl]-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.70% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.66% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.24% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.82% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.71% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.05% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.31% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.17% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.00% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.84% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.46% | 91.19% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.29% | 97.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.15% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.50% | 91.07% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.65% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.82% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.28% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.72% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.69% | 93.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.63% | 89.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.87% | 98.75% |
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.
| Chloranthus anhuiensis |
| PubChem | 75221143 |
| LOTUS | LTS0144018 |
| wikiData | Q105250240 |