4,6,9-trihydroxy-7,7,10a-trimethyl-3-propan-2-yl-6a,8,9,10-tetrahydro-6H-benzo[c]chromene-1-carbaldehyde
| Internal ID | 769a219c-9a9b-4bd1-86cc-c2affd4b3c50 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | 4,6,9-trihydroxy-7,7,10a-trimethyl-3-propan-2-yl-6a,8,9,10-tetrahydro-6H-benzo[c]chromene-1-carbaldehyde |
| SMILES (Canonical) | CC(C)C1=C(C2=C(C(=C1)C=O)C3(CC(CC(C3C(O2)O)(C)C)O)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C2=C(C(=C1)C=O)C3(CC(CC(C3C(O2)O)(C)C)O)C)O |
| InChI | InChI=1S/C20H28O5/c1-10(2)13-6-11(9-21)14-16(15(13)23)25-18(24)17-19(3,4)7-12(22)8-20(14,17)5/h6,9-10,12,17-18,22-24H,7-8H2,1-5H3 |
| InChI Key | AUWVAGHPASUCAH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O5 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 4,6,9-trihydroxy-7,7,10a-trimethyl-3-propan-2-yl-6a,8,9,10-tetrahydro-6H-benzo[c]chromene-1-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/beb73780-862a-11ee-81e2-af5923d450a4.jpg "2D Structure of 4,6,9-trihydroxy-7,7,10a-trimethyl-3-propan-2-yl-6a,8,9,10-tetrahydro-6H-benzo[c]chromene-1-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.19% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.97% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.02% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.56% | 96.09% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 94.02% | 98.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.84% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.68% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.43% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.51% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.63% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.71% | 93.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.79% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.60% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.18% | 96.77% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.00% | 83.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.95% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.55% | 86.33% |
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.
| Salvia texana |
| PubChem | 14336133 |
| LOTUS | LTS0059777 |
| wikiData | Q104919216 |