(1S,2S,6S,7S,8S)-1,3-dimethyl-8-[(2S)-6-methylhept-5-en-2-yl]tricyclo[4.4.0.02,7]dec-3-ene
| Internal ID | b909f062-69dd-4ca6-a579-5d83e4d4dafb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1S,2S,6S,7S,8S)-1,3-dimethyl-8-[(2S)-6-methylhept-5-en-2-yl]tricyclo[4.4.0.02,7]dec-3-ene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32/c1-13(2)7-6-8-14(3)16-11-12-20(5)17-10-9-15(4)19(20)18(16)17/h7,9,14,16-19H,6,8,10-12H2,1-5H3/t14-,16-,17-,18-,19+,20-/m0/s1 |
| InChI Key | ZPYIBBZFPVTBNG-YFFHVDCVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H32 |
| Molecular Weight | 272.50 g/mol |
| Exact Mass | 272.250401021 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of (1S,2S,6S,7S,8S)-1,3-dimethyl-8-[(2S)-6-methylhept-5-en-2-yl]tricyclo[4.4.0.02,7]dec-3-ene](https://plantaedb.com/storage/docs/compounds/2023/11/1s2s6s7s8s-13-dimethyl-8-2s-6-methylhept-5-en-2-yltricyclo440027dec-3-ene.jpg "2D Structure of (1S,2S,6S,7S,8S)-1,3-dimethyl-8-[(2S)-6-methylhept-5-en-2-yl]tricyclo[4.4.0.02,7]dec-3-ene")
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.86% | 94.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.50% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.12% | 97.25% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.82% | 93.99% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.38% | 93.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.14% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.64% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.59% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.04% | 96.09% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 87.71% | 95.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.05% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.64% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.11% | 100.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.64% | 85.30% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.19% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.08% | 95.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.05% | 96.43% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.74% | 96.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.44% | 90.71% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.15% | 93.18% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.08% | 96.61% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.65% | 97.50% |
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.
| There are no matching plants. |
| PubChem | 162971767 |
| LOTUS | LTS0225052 |
| wikiData | Q105381324 |