(16S)-5,7,16-trihydroxy-20-methoxy-17,17-dimethyl-10,12,18-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),4,6,8,13,19-heptaen-3-one
| Internal ID | d6d9df9e-222e-414e-ab30-ea672d28d470 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | (16S)-5,7,16-trihydroxy-20-methoxy-17,17-dimethyl-10,12,18-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),4,6,8,13,19-heptaen-3-one |
| SMILES (Canonical) | CC1(C(CC2=C3C(=CC(=C2O1)OC)C4=C(O3)OC5=CC(=CC(=C5C4=O)O)O)O)C |
| SMILES (Isomeric) | CC1([C@H](CC2=C3C(=CC(=C2O1)OC)C4=C(O3)OC5=CC(=CC(=C5C4=O)O)O)O)C |
| InChI | InChI=1S/C21H18O8/c1-21(2)14(24)7-10-18-9(6-13(26-3)19(10)29-21)15-17(25)16-11(23)4-8(22)5-12(16)27-20(15)28-18/h4-6,14,22-24H,7H2,1-3H3/t14-/m0/s1 |
| InChI Key | DCNWEGSYZJCFSV-AWEZNQCLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H18O8 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (16S)-5,7,16-trihydroxy-20-methoxy-17,17-dimethyl-10,12,18-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),4,6,8,13,19-heptaen-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/91a70700-86e9-11ee-972b-bbb8d1c85fe4.jpg "2D Structure of (16S)-5,7,16-trihydroxy-20-methoxy-17,17-dimethyl-10,12,18-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),4,6,8,13,19-heptaen-3-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 | 99.64% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.28% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.72% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.59% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.20% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.74% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.68% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.54% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.09% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.37% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.61% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.26% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.23% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.59% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.25% | 92.62% |
| CHEMBL3194 | P02766 | Transthyretin | 83.91% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.32% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.93% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.83% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.14% | 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.
| Piscidia piscipula |
| PubChem | 163042138 |
| LOTUS | LTS0222080 |
| wikiData | Q104975680 |