(3aS,7aR)-5-(2-hydroxy-2-methylpropyl)-6-[[(2R)-6-methoxy-2,8-dimethylchromen-2-yl]methyl]-3a,7a-dimethyl-1,2,3,7-tetrahydroinden-4-one
| Internal ID | b272b10a-1175-4316-84ce-9f8108884122 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | (3aS,7aR)-5-(2-hydroxy-2-methylpropyl)-6-[[(2R)-6-methoxy-2,8-dimethylchromen-2-yl]methyl]-3a,7a-dimethyl-1,2,3,7-tetrahydroinden-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H38O4/c1-18-13-21(31-7)14-19-9-12-27(5,32-23(18)19)16-20-15-26(4)10-8-11-28(26,6)24(29)22(20)17-25(2,3)30/h9,12-14,30H,8,10-11,15-17H2,1-7H3/t26-,27+,28-/m1/s1 |
| InChI Key | RHDGWMARJHUFRF-OZNIXHKMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H38O4 |
| Molecular Weight | 438.60 g/mol |
| Exact Mass | 438.27700969 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of (3aS,7aR)-5-(2-hydroxy-2-methylpropyl)-6-[[(2R)-6-methoxy-2,8-dimethylchromen-2-yl]methyl]-3a,7a-dimethyl-1,2,3,7-tetrahydroinden-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/236c8ed0-879f-11ee-9c25-d51e62ebc782.jpg "2D Structure of (3aS,7aR)-5-(2-hydroxy-2-methylpropyl)-6-[[(2R)-6-methoxy-2,8-dimethylchromen-2-yl]methyl]-3a,7a-dimethyl-1,2,3,7-tetrahydroinden-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 | 99.05% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.49% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.28% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.44% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.30% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.29% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.88% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 91.90% | 89.76% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 91.08% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.37% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.63% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.83% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.96% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.79% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.61% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.58% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.77% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.67% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.45% | 97.14% |
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.
| There are no matching plants. |
| PubChem | 25156145 |
| LOTUS | LTS0062988 |
| wikiData | Q105236297 |