13-Hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7-dioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
| Internal ID | 968c0fa1-5285-47e4-ba75-992541801ca0 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 8-prenylated isoflavanones |
| IUPAC Name | 13-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7-dioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one |
| SMILES (Canonical) | CC(=C)C1CC2=C(O1)C=CC3=C2OC4CCC5=CC(=C(C=C5C4(C3=O)O)OC)OC |
| SMILES (Isomeric) | CC(=C)C1CC2=C(O1)C=CC3=C2OC4CCC5=CC(=C(C=C5C4(C3=O)O)OC)OC |
| InChI | InChI=1S/C24H24O6/c1-12(2)18-10-15-17(29-18)7-6-14-22(15)30-21-8-5-13-9-19(27-3)20(28-4)11-16(13)24(21,26)23(14)25/h6-7,9,11,18,21,26H,1,5,8,10H2,2-4H3 |
| InChI Key | VLRBQHKOZYBRDR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H24O6 |
| Molecular Weight | 408.40 g/mol |
| Exact Mass | 408.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 13-Hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7-dioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/8ae2d8b0-81d3-11ee-87d4-bbfcce71832b.jpg "2D Structure of 13-Hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7-dioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-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 | 97.59% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.87% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.68% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.66% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 95.75% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.10% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.33% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.45% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.17% | 95.56% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 90.94% | 97.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.85% | 86.33% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 88.70% | 96.86% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.74% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.39% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.29% | 98.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.23% | 93.40% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.76% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.32% | 89.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.02% | 82.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.85% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.21% | 89.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.19% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.96% | 92.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.76% | 91.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.30% | 95.78% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.98% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.44% | 95.89% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.09% | 96.39% |
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.
| Neorautanenia mitis |
| PubChem | 73126439 |
| LOTUS | LTS0152826 |
| wikiData | Q105288600 |