(4bS,8aS)-2-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
| Internal ID | f66fed8b-f2b2-4ff5-8df8-c93a0360b697 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4bS,8aS)-2-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3=CC(=C(C=C32)O)OC)C)C |
| SMILES (Isomeric) | C[C@]12CCCC([C@@H]1CCC3=CC(=C(C=C23)O)OC)(C)C |
| InChI | InChI=1S/C18H26O2/c1-17(2)8-5-9-18(3)13-11-14(19)15(20-4)10-12(13)6-7-16(17)18/h10-11,16,19H,5-9H2,1-4H3/t16-,18+/m0/s1 |
| InChI Key | SIQSVCRIJUURID-FUHWJXTLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H26O2 |
| Molecular Weight | 274.40 g/mol |
| Exact Mass | 274.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 5.60 |
| 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 | 99.12% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 97.68% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.94% | 96.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 95.05% | 91.79% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.66% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.45% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.38% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.81% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.39% | 94.45% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.29% | 91.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.65% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.32% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.62% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.38% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.36% | 98.75% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.39% | 97.93% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.38% | 82.69% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 80.07% | 88.48% |
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.
| Taiwania cryptomerioides |
| PubChem | 15870443 |
| LOTUS | LTS0045709 |
| wikiData | Q105253968 |