(1S,11S)-5-methoxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-1-ol
| Internal ID | c0c069cb-2378-4d38-84eb-1978018fe71f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,11S)-5-methoxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-1-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H32O2/c1-14(2)17-11-15-7-8-19-20(3,4)9-6-10-21(19,22)13-16(15)12-18(17)23-5/h11-12,14,19,22H,6-10,13H2,1-5H3/t19-,21-/m0/s1 |
| InChI Key | VYTJHRLRPJAMJT-FPOVZHCZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H32O2 |
| Molecular Weight | 316.50 g/mol |
| Exact Mass | 316.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of (1S,11S)-5-methoxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1s11s-5-methoxy-1212-dimethyl-6-propan-2-yltricyclo940038pentadeca-357-trien-1-ol.jpg "2D Structure of (1S,11S)-5-methoxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-1-ol")
| 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 | 98.26% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.44% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.88% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.52% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.32% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.94% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.49% | 92.94% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.40% | 91.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.30% | 92.62% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.10% | 99.18% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.77% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.71% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.37% | 96.77% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.62% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.04% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.47% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.60% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.02% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.81% | 98.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.42% | 82.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.34% | 95.89% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.19% | 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.
| Chamaecyparis formosensis |
| PubChem | 100983030 |
| LOTUS | LTS0094052 |
| wikiData | Q105310299 |