6-[(10,14-Dimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-7-yl)oxy]-4-methoxy-2-methyloxan-3-ol
| Internal ID | 9de755af-805e-45bb-b81c-aff05532db2c |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 6-[(10,14-dimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-7-yl)oxy]-4-methoxy-2-methyloxan-3-ol |
| SMILES (Canonical) | CC1C(C(CC(O1)OC2CCC3(C4CCC5(C6C7COC6OC5(C4CC=C3C2)O7)C)C)OC)O |
| SMILES (Isomeric) | CC1C(C(CC(O1)OC2CCC3(C4CCC5(C6C7COC6OC5(C4CC=C3C2)O7)C)C)OC)O |
| InChI | InChI=1S/C27H40O7/c1-14-23(28)19(29-4)12-21(31-14)32-16-7-9-25(2)15(11-16)5-6-18-17(25)8-10-26(3)22-20-13-30-24(22)34-27(18,26)33-20/h5,14,16-24,28H,6-13H2,1-4H3 |
| InChI Key | GZEPYBQXQUQHQZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H40O7 |
| Molecular Weight | 476.60 g/mol |
| Exact Mass | 476.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 75.60 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 6-[(10,14-Dimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-7-yl)oxy]-4-methoxy-2-methyloxan-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/0fb81f80-8547-11ee-a62a-e510da6dad24.jpg "2D Structure of 6-[(10,14-Dimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-7-yl)oxy]-4-methoxy-2-methyloxan-3-ol")
| 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 | 96.72% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.45% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.33% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.01% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 92.51% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.15% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.89% | 86.33% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 89.38% | 97.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.68% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.62% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.46% | 95.93% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 88.21% | 86.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.20% | 97.79% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.09% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.46% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.07% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.65% | 91.07% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.45% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.32% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.82% | 94.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.88% | 97.14% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 82.87% | 95.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.50% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.30% | 98.95% |
| CHEMBL4072 | P07858 | Cathepsin B | 81.21% | 93.67% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.83% | 98.99% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.26% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.09% | 99.23% |
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.
| Mandevilla illustris |
| PubChem | 163046447 |
| LOTUS | LTS0211484 |
| wikiData | Q105024363 |