(1R,2S,14S,15R)-4,25-dimethoxy-8,12,17,21-tetraoxaheptacyclo[13.11.0.02,14.03,11.05,9.018,26.020,24]hexacosa-3(11),4,6,9,18(26),19,22,24-octaene-13,16-dione
| Internal ID | 492e3a4c-4d8b-4c2f-8ef6-8bbb8c5fbfcb |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Linear furanocoumarins |
| IUPAC Name | (1R,2S,14S,15R)-4,25-dimethoxy-8,12,17,21-tetraoxaheptacyclo[13.11.0.02,14.03,11.05,9.018,26.020,24]hexacosa-3(11),4,6,9,18(26),19,22,24-octaene-13,16-dione |
| SMILES (Canonical) | COC1=C2C=COC2=CC3=C1C4C5C(C4C(=O)O3)C(=O)OC6=C5C(=C7C=COC7=C6)OC |
| SMILES (Isomeric) | COC1=C2C=COC2=CC3=C1[C@@H]4[C@H]5[C@@H]([C@@H]4C(=O)O3)C(=O)OC6=C5C(=C7C=COC7=C6)OC |
| InChI | InChI=1S/C24H16O8/c1-27-21-9-3-5-29-11(9)7-13-15(21)17-18-16-14(8-12-10(4-6-30-12)22(16)28-2)32-24(26)20(18)19(17)23(25)31-13/h3-8,17-20H,1-2H3/t17-,18+,19-,20+ |
| InChI Key | CCLGJTQMQHAJLX-FGYAAKKASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H16O8 |
| Molecular Weight | 432.40 g/mol |
| Exact Mass | 432.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 97.30 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (1R,2S,14S,15R)-4,25-dimethoxy-8,12,17,21-tetraoxaheptacyclo[13.11.0.02,14.03,11.05,9.018,26.020,24]hexacosa-3(11),4,6,9,18(26),19,22,24-octaene-13,16-dione](https://plantaedb.com/storage/docs/compounds/2023/11/398a2100-8595-11ee-8be0-cdb9ff7c4473.jpg "2D Structure of (1R,2S,14S,15R)-4,25-dimethoxy-8,12,17,21-tetraoxaheptacyclo[13.11.0.02,14.03,11.05,9.018,26.020,24]hexacosa-3(11),4,6,9,18(26),19,22,24-octaene-13,16-dione")
| 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 | 96.94% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.20% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.14% | 95.56% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 89.60% | 94.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.07% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.28% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.51% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.60% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.38% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.28% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.44% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.18% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.20% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.05% | 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.
| Citrus medica |
| PubChem | 11144530 |
| LOTUS | LTS0220081 |
| wikiData | Q104953434 |