13-Hydroxy-15-[1-(2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)ethyl]-2-methyl-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-3-one
| Internal ID | 721d5078-1127-4d7b-8d22-dd7e09a0ca62 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | 13-hydroxy-15-[1-(2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)ethyl]-2-methyl-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-3-one |
| SMILES (Canonical) | CC(C1CC2(C(O2)(C(O1)O)C)C)C3=CC4=C(C5CC6C7(O6)CC=CC(=O)C7(C5CC4)C)C(=C3)O |
| SMILES (Isomeric) | CC(C1CC2(C(O2)(C(O1)O)C)C)C3=CC4=C(C5CC6C7(O6)CC=CC(=O)C7(C5CC4)C)C(=C3)O |
| InChI | InChI=1S/C28H34O6/c1-14(20-13-25(2)27(4,34-25)24(31)32-20)16-10-15-7-8-18-17(23(15)19(29)11-16)12-22-28(33-22)9-5-6-21(30)26(18,28)3/h5-6,10-11,14,17-18,20,22,24,29,31H,7-9,12-13H2,1-4H3 |
| InChI Key | ARFKQZFIEWFLNC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H34O6 |
| Molecular Weight | 466.60 g/mol |
| Exact Mass | 466.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 91.80 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 13-Hydroxy-15-[1-(2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)ethyl]-2-methyl-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/c37916b0-8659-11ee-8e9d-21e366a2ed2a.jpg "2D Structure of 13-Hydroxy-15-[1-(2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)ethyl]-2-methyl-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-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 | 99.50% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.73% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.89% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.36% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.76% | 97.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 93.52% | 85.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.37% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.60% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.25% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.92% | 90.71% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.13% | 96.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.50% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.45% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.26% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.93% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.72% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.51% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.22% | 99.23% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.79% | 91.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.78% | 97.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.32% | 93.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.27% | 91.19% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.22% | 99.15% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 84.89% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.77% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.73% | 96.77% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.29% | 92.94% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.67% | 95.38% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.51% | 98.10% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.21% | 80.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.02% | 92.62% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.00% | 96.61% |
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.
| Salpichroa origanifolia |
| PubChem | 73799288 |
| LOTUS | LTS0104685 |
| wikiData | Q104917279 |