(4aR,8R,8aR)-4,4,8a-trimethyl-7-methylidene-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalene
| Internal ID | 4e27ba0d-de8c-4f7f-8a3a-bd6fafafbbd4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4aR,8R,8aR)-4,4,8a-trimethyl-7-methylidene-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalene |
| SMILES (Canonical) | CC1(CCCC2(C1CCC(=C)C2CCC(=C)C=C)C)C |
| SMILES (Isomeric) | C[C@@]12CCCC([C@H]1CCC(=C)[C@H]2CCC(=C)C=C)(C)C |
| InChI | InChI=1S/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,17-18H,1-3,8-14H2,4-6H3/t17-,18-,20+/m1/s1 |
| InChI Key | KYLKKZSVPLUGCC-GGPKGHCWSA-N |
| Popularity | 0 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 | 7.50 |
| 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 | 98.13% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.31% | 91.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.78% | 97.93% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 88.76% | 99.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.87% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.24% | 82.69% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.15% | 91.49% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.75% | 95.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.42% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.88% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.07% | 95.89% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 81.50% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.64% | 97.09% |
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.
| Cryptomeria japonica |
| Lepidothamnus intermedius |
| Prumnopitys andina |
| PubChem | 101664538 |
| LOTUS | LTS0240878 |
| wikiData | Q105147773 |