(1S,2S,4aR,6R,7R,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,8,8a-hexahydro-2H-naphthalene-1,2,6,7-tetrol
| Internal ID | d275eaaa-18dd-4286-b77d-65791395d0ef |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (1S,2S,4aR,6R,7R,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,8,8a-hexahydro-2H-naphthalene-1,2,6,7-tetrol |
| SMILES (Canonical) | CC(=C)C1(CC2C(CCC(C2(C)O)O)(CC1O)C)O |
| SMILES (Isomeric) | CC(=C)[C@@]1(C[C@@H]2[C@](CC[C@@H]([C@@]2(C)O)O)(C[C@H]1O)C)O |
| InChI | InChI=1S/C15H26O4/c1-9(2)15(19)7-10-13(3,8-12(15)17)6-5-11(16)14(10,4)18/h10-12,16-19H,1,5-8H2,2-4H3/t10-,11+,12-,13-,14+,15-/m1/s1 |
| InChI Key | FKXMJDXYVBQZKU-ZAQNNHEOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O4 |
| Molecular Weight | 270.36 g/mol |
| Exact Mass | 270.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 0.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.36% | 90.17% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 90.75% | 95.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.89% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.67% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.99% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.33% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.47% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.30% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.20% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.96% | 82.69% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.66% | 95.50% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.01% | 96.38% |
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.
| Tessaria integrifolia |
| PubChem | 10801997 |
| LOTUS | LTS0130973 |
| wikiData | Q104996866 |