2-(dimethylamino)ethyl 2-(7,10-dihydroxy-1,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene)acetate
| Internal ID | a7bf4298-c512-4066-9d09-ce2c9b680ea0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2-(dimethylamino)ethyl 2-(7,10-dihydroxy-1,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene)acetate |
| SMILES (Canonical) | CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCC(C(C3CC2O)(C)C)O)C |
| SMILES (Isomeric) | CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCC(C(C3CC2O)(C)C)O)C |
| InChI | InChI=1S/C24H41NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17-20,22,26-27H,7-12,14H2,1-6H3 |
| InChI Key | JKPVSFQJGXEMSU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H41NO4 |
| Molecular Weight | 407.60 g/mol |
| Exact Mass | 407.30355879 g/mol |
| Topological Polar Surface Area (TPSA) | 70.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.41% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.41% | 83.82% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.84% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.80% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.00% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.46% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.20% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.67% | 90.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.37% | 97.25% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 85.76% | 90.24% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.61% | 94.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.58% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.29% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.09% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 84.06% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.94% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.88% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.32% | 95.50% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.88% | 85.11% |
| CHEMBL204 | P00734 | Thrombin | 82.04% | 96.01% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.77% | 85.31% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.62% | 94.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.56% | 96.38% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.43% | 98.75% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.29% | 96.90% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.64% | 89.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.15% | 89.67% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 80.07% | 86.67% |
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.
| Erythrophleum chlorostachys |
| Erythrophleum coumingo |
| Erythrophleum suaveolens |
| PubChem | 101054 |
| LOTUS | LTS0088779 |
| wikiData | Q105130420 |