(11S)-4,5-dimethoxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraene
| Internal ID | 25d05854-85db-4ce8-9586-d270719f2197 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (11S)-4,5-dimethoxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraene |
| SMILES (Canonical) | CC(C)C1=C(C(=C2CC3=CCCC(C3CCC2=C1)(C)C)OC)OC |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2CC3=CCCC([C@@H]3CCC2=C1)(C)C)OC)OC |
| InChI | InChI=1S/C22H32O2/c1-14(2)17-12-15-9-10-19-16(8-7-11-22(19,3)4)13-18(15)21(24-6)20(17)23-5/h8,12,14,19H,7,9-11,13H2,1-6H3/t19-/m1/s1 |
| InChI Key | QXHAKXGZUGCVJD-LJQANCHMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O2 |
| Molecular Weight | 328.50 g/mol |
| Exact Mass | 328.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 18.50 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of (11S)-4,5-dimethoxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraene](https://plantaedb.com/storage/docs/compounds/2023/11/11s-45-dimethoxy-1212-dimethyl-6-propan-2-yltricyclo940038pentadeca-115357-tetraene.jpg "2D Structure of (11S)-4,5-dimethoxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraene")
| 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 | 99.08% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.50% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.48% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.07% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.33% | 96.77% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.42% | 99.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.27% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.56% | 95.89% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 85.74% | 91.65% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 85.44% | 93.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.85% | 93.40% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.53% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.91% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.69% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.78% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.58% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.91% | 96.21% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.88% | 93.56% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 80.87% | 94.97% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.71% | 89.05% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 80.48% | 99.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.44% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.05% | 91.07% |
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.
| Plectranthus barbatus |
| PubChem | 101457520 |
| LOTUS | LTS0094326 |
| wikiData | Q105229600 |