(4bS,8aS)-10,10-dimethoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-1,4,9-trione
| Internal ID | 668aae0a-891e-4839-b610-c2ea372d050a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4bS,8aS)-10,10-dimethoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-1,4,9-trione |
| SMILES (Canonical) | CC(C)C1=CC(=O)C2=C(C1=O)C(C(=O)C3C2(CCCC3(C)C)C)(OC)OC |
| SMILES (Isomeric) | CC(C)C1=CC(=O)C2=C(C1=O)C(C(=O)[C@@H]3[C@@]2(CCCC3(C)C)C)(OC)OC |
| InChI | InChI=1S/C22H30O5/c1-12(2)13-11-14(23)15-16(17(13)24)22(26-6,27-7)19(25)18-20(3,4)9-8-10-21(15,18)5/h11-12,18H,8-10H2,1-7H3/t18-,21+/m0/s1 |
| InChI Key | FBIXXXXACRPEFX-GHTZIAJQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30O5 |
| Molecular Weight | 374.50 g/mol |
| Exact Mass | 374.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 3.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.18% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.63% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.39% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.95% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.47% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.34% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.78% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.26% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.68% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.32% | 83.82% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.71% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.97% | 97.09% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.64% | 95.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.55% | 97.14% |
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.
| Salvia nutans |
| PubChem | 15478909 |
| LOTUS | LTS0126993 |
| wikiData | Q104992684 |