Prepacifennol epoxide
| Internal ID | a0634f3f-af8e-4dcf-beac-a582076f1790 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Chamigranes |
| IUPAC Name | 4,4'-dibromo-5'-chloro-5,5,5',7-tetramethylspiro[3,8-dioxatricyclo[5.1.0.02,4]octane-6,2'-cyclohexane]-1'-ol |
| SMILES (Canonical) | CC1(C2(CC(C(CC2O)(C)Cl)Br)C3(C(O3)C4C1(O4)Br)C)C |
| SMILES (Isomeric) | CC1(C2(CC(C(CC2O)(C)Cl)Br)C3(C(O3)C4C1(O4)Br)C)C |
| InChI | InChI=1S/C15H21Br2ClO3/c1-11(2)14(5-7(16)12(3,18)6-8(14)19)13(4)9(20-13)10-15(11,17)21-10/h7-10,19H,5-6H2,1-4H3 |
| InChI Key | AHEAISCIGHPMGI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H21Br2ClO3 |
| Molecular Weight | 444.60 g/mol |
| Exact Mass | 443.95255 g/mol |
| Topological Polar Surface Area (TPSA) | 45.30 Ų |
| XlogP | 3.20 |
| 55304-01-3 |
| NSC611360 |
| NSC 611360 |
| Prepacifenol epoxide |
| Spiro(cyclohexane-1,5'-(3,8)dioxatricyclo(5.1.0.0(2,4))octan)-2-ol, 5,7'-dibromo-4-chloro-4, 4',6',6'-tetramethyl-, (1'R-(1'alpha,2'beta,4'beta,5'alpha (2S*,4S*,5S*),7'alpha))- |
| Spiro(cyclohexane-1,5'-(3,8)dioxatricyclo(5.1.0.0(2,4))octan)-2-ol, 5,7'-dibromo-4-chloro-4,4',6',6'-tetramethyl-, (1R,1'R,2S,2'R,4S,4'S,5S,7'R)- |
| DTXSID10970629 |
| NSC-611360 |
| 4'-dibromo-5'-chloro-5'-tetramethyl-spiro[[?]-2,2'-cyclohexane]-1'-ol |
| 5,7'-Dibromo-4-chloro-4,4',6',6'-tetramethyl-3',8'-dioxaspiro[cyclohexane-1,5'-tricyclo[5.1.0.0~2,4~]octan]-2-ol |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 95.17% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.34% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.37% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.35% | 96.77% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.36% | 90.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.07% | 96.61% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.49% | 89.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.10% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.97% | 94.45% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.13% | 85.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.23% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.07% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.88% | 97.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.26% | 98.75% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 80.01% | 95.27% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 80.01% | 92.51% |
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.
| There are no matching plants. |
| PubChem | 356215 |
| LOTUS | LTS0177195 |
| wikiData | Q82953868 |