(-)-applanatumol Z2
| Internal ID | dda06f5c-daca-4254-a98b-6ebee2d5861a |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | methyl (3S)-7-hydroxy-9-oxo-2,3-dihydro-1H-cyclopenta[b]chromene-3-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H12O5/c1-18-14(17)9-4-3-8-12(16)10-6-7(15)2-5-11(10)19-13(8)9/h2,5-6,9,15H,3-4H2,1H3/t9-/m0/s1 |
| InChI Key | BZWPDDPIFDNFIU-VIFPVBQESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H12O5 |
| Molecular Weight | 260.24 g/mol |
| Exact Mass | 260.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 1.40 |
| methyl (3S)-7-hydroxy-9-oxo-2,3-dihydro-1H-cyclopenta[b]chromene-3-carboxylate |
| methyl (3S)-7-hydroxy-9-oxo-2,3-dihydro-1H-cyclopenta(b)chromene-3-carboxylate |
| RefChem:67720 |
| CHEBI:210100 |
| 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 | 99.58% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.89% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.67% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.25% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.19% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.37% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.72% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.35% | 85.14% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 88.08% | 85.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.64% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.03% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.62% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.38% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.16% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.67% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.26% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.19% | 95.89% |
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 | 139588241 |
| LOTUS | LTS0100877 |
| wikiData | Q104950720 |