[(9S)-12-hydroxy-5-methoxy-2,2,9-trimethyl-11-oxo-8,10-dihydronaphtho[3,2-h]chromen-9-yl] acetate
| Internal ID | 6f9cfb9f-44d1-441f-afba-88e7ca8f567d |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | [(9S)-12-hydroxy-5-methoxy-2,2,9-trimethyl-11-oxo-8,10-dihydronaphtho[3,2-h]chromen-9-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1(CC2=C(C(=O)C1)C(=C3C(=C2)C=C(C4=C3OC(C=C4)(C)C)OC)O)C |
| SMILES (Isomeric) | CC(=O)O[C@]1(CC2=C(C(=O)C1)C(=C3C(=C2)C=C(C4=C3OC(C=C4)(C)C)OC)O)C |
| InChI | InChI=1S/C23H24O6/c1-12(24)28-23(4)10-14-8-13-9-17(27-5)15-6-7-22(2,3)29-21(15)19(13)20(26)18(14)16(25)11-23/h6-9,26H,10-11H2,1-5H3/t23-/m0/s1 |
| InChI Key | DGSRXKGBZHMWTF-QHCPKHFHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O6 |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of [(9S)-12-hydroxy-5-methoxy-2,2,9-trimethyl-11-oxo-8,10-dihydronaphtho[3,2-h]chromen-9-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/9s-12-hydroxy-5-methoxy-229-trimethyl-11-oxo-810-dihydronaphtho32-hchromen-9-yl-acetate.jpg "2D Structure of [(9S)-12-hydroxy-5-methoxy-2,2,9-trimethyl-11-oxo-8,10-dihydronaphtho[3,2-h]chromen-9-yl] acetate")
| 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 | 99.69% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.93% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.82% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.22% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.96% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.71% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.43% | 86.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.99% | 89.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.59% | 91.19% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.89% | 94.42% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.71% | 89.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 85.15% | 80.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.06% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.93% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.02% | 99.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.65% | 96.77% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.71% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.04% | 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.
| Vismia japurensis |
| PubChem | 162883642 |
| LOTUS | LTS0129990 |
| wikiData | Q104979253 |