(1S,3R,7Z,9S,12S,13R,15R)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione
| Internal ID | 8af76941-b198-4d0f-8ca3-9da385efd276 |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | (1S,3R,7Z,9S,12S,13R,15R)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione |
| SMILES (Canonical) | CC1=CC2C3C(CC4(C(=O)C=C1O4)C)OC(C3(C(=O)O2)C)(C(C)C)O |
| SMILES (Isomeric) | C/C/1=C/[C@H]2[C@H]3[C@H](C[C@@]4(C(=O)C=C1O4)C)O[C@@]([C@]3(C(=O)O2)C)(C(C)C)O |
| InChI | InChI=1S/C19H24O6/c1-9(2)19(22)18(5)15-12(23-16(18)21)6-10(3)11-7-14(20)17(4,24-11)8-13(15)25-19/h6-7,9,12-13,15,22H,8H2,1-5H3/b10-6-/t12-,13-,15-,17+,18+,19+/m0/s1 |
| InChI Key | LOILTCBRRAVDAF-CTTWEULISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O6 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (1S,3R,7Z,9S,12S,13R,15R)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/ad967120-8713-11ee-aedc-8dc79f868058.jpg "2D Structure of (1S,3R,7Z,9S,12S,13R,15R)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.63% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.62% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.57% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.80% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.67% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.97% | 93.40% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.65% | 96.61% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.41% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.20% | 94.45% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.94% | 86.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.93% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.81% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.47% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.04% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.94% | 96.47% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.16% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.21% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.33% | 94.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.21% | 96.43% |
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.
| Paralychnophora bicolor |
| PubChem | 162948862 |
| LOTUS | LTS0132138 |
| wikiData | Q105154735 |