(3S,4aS,4bS,6R,7R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-3,6-diol
| Internal ID | 6695dba8-dd99-4f5b-8d0b-e8d42addd968 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (3S,4aS,4bS,6R,7R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-3,6-diol |
| SMILES (Canonical) | CC1(CC(CC2(C1CCC3=CC(C(CC32)O)(C)C=C)C)O)C |
| SMILES (Isomeric) | C[C@]12C[C@H](CC([C@@H]1CCC3=C[C@@]([C@@H](C[C@H]23)O)(C)C=C)(C)C)O |
| InChI | InChI=1S/C20H32O2/c1-6-19(4)10-13-7-8-16-18(2,3)11-14(21)12-20(16,5)15(13)9-17(19)22/h6,10,14-17,21-22H,1,7-9,11-12H2,2-5H3/t14-,15-,16-,17+,19+,20+/m0/s1 |
| InChI Key | IUQMXZGNTWBPOE-FKAIMOKRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.01% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.50% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.15% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.97% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.46% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.08% | 97.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.91% | 83.57% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 85.42% | 99.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.39% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.80% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.37% | 96.43% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.56% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.54% | 95.56% |
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.
| Tanaecium jaroba |
| PubChem | 162847108 |
| LOTUS | LTS0254258 |
| wikiData | Q105120776 |