13-Hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-prop-1-en-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione
| Internal ID | fea8d8b5-73cd-4d2a-b42a-33df0a243659 |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | 13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-prop-1-en-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione |
| SMILES (Canonical) | CC(=C)C1(C2(C3C(O1)CC4(C(=O)C=C(O4)C(=CC3OC2=O)CO)C)C)O |
| SMILES (Isomeric) | CC(=C)C1(C2(C3C(O1)CC4(C(=O)C=C(O4)C(=CC3OC2=O)CO)C)C)O |
| InChI | InChI=1S/C19H22O7/c1-9(2)19(23)18(4)15-12(24-16(18)22)5-10(8-20)11-6-14(21)17(3,25-11)7-13(15)26-19/h5-6,12-13,15,20,23H,1,7-8H2,2-4H3 |
| InChI Key | UTAIQJCLBFIWFX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O7 |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of 13-Hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-prop-1-en-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/2023/11/578ecee0-83cd-11ee-af69-2574f1bf8580.jpg "2D Structure of 13-Hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-prop-1-en-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.19% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.91% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.02% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.40% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.79% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.04% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.61% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.92% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.94% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.87% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.50% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.48% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.61% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.15% | 89.00% |
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.
| Piptolepis leptospermoides |
| PubChem | 163078575 |
| LOTUS | LTS0128178 |
| wikiData | Q105278637 |