6-hydroxy-6-[4-(2-hydroxy-5-methoxy-3-methylphenyl)-2-methylbut-2-enyl]-5-(2-hydroxy-2-methylpropyl)-3a,7a-dimethyl-2,3,5,7-tetrahydro-1H-inden-4-one
| Internal ID | ef6bc976-ee4a-4668-96d1-401e603077e9 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | 6-hydroxy-6-[4-(2-hydroxy-5-methoxy-3-methylphenyl)-2-methylbut-2-enyl]-5-(2-hydroxy-2-methylpropyl)-3a,7a-dimethyl-2,3,5,7-tetrahydro-1H-inden-4-one |
| SMILES (Canonical) | CC1=CC(=CC(=C1O)CC=C(C)CC2(CC3(CCCC3(C(=O)C2CC(C)(C)O)C)C)O)OC |
| SMILES (Isomeric) | CC1=CC(=CC(=C1O)CC=C(C)CC2(CC3(CCCC3(C(=O)C2CC(C)(C)O)C)C)O)OC |
| InChI | InChI=1S/C28H42O5/c1-18(9-10-20-14-21(33-7)13-19(2)23(20)29)15-28(32)17-26(5)11-8-12-27(26,6)24(30)22(28)16-25(3,4)31/h9,13-14,22,29,31-32H,8,10-12,15-17H2,1-7H3 |
| InChI Key | WACUKVKVDBBXHA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H42O5 |
| Molecular Weight | 458.60 g/mol |
| Exact Mass | 458.30322444 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of 6-hydroxy-6-[4-(2-hydroxy-5-methoxy-3-methylphenyl)-2-methylbut-2-enyl]-5-(2-hydroxy-2-methylpropyl)-3a,7a-dimethyl-2,3,5,7-tetrahydro-1H-inden-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/224d4c80-835c-11ee-a8bd-7106a3fb5347.jpg "2D Structure of 6-hydroxy-6-[4-(2-hydroxy-5-methoxy-3-methylphenyl)-2-methylbut-2-enyl]-5-(2-hydroxy-2-methylpropyl)-3a,7a-dimethyl-2,3,5,7-tetrahydro-1H-inden-4-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 | 99.67% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.12% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.07% | 95.56% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 94.23% | 92.68% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.25% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 91.68% | 91.07% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.91% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.98% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.69% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.51% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.50% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.98% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.67% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.76% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.29% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.22% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.73% | 92.94% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 82.50% | 92.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.37% | 98.75% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.02% | 97.28% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.97% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.94% | 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.
| Garcinia aristata |
| PubChem | 72726492 |
| LOTUS | LTS0243095 |
| wikiData | Q105200805 |