(1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene
| Internal ID | c194c7b1-f446-4025-b80e-9422d863c202 |
| Taxonomy | Hydrocarbons > Unsaturated hydrocarbons > Branched unsaturated hydrocarbons |
| IUPAC Name | (1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene |
| SMILES (Canonical) | CC1=CCC(C2C1C2)(C)CCC=C(C)C |
| SMILES (Isomeric) | CC1=CC[C@]([C@@H]2[C@H]1C2)(C)CCC=C(C)C |
| InChI | InChI=1S/C15H24/c1-11(2)6-5-8-15(4)9-7-12(3)13-10-14(13)15/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15-/m0/s1 |
| InChI Key | CDHIBJQCMHGRHI-KKUMJFAQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24 |
| Molecular Weight | 204.35 g/mol |
| Exact Mass | 204.187800766 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of (1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene](https://plantaedb.com/storage/docs/compounds/2023/11/1r5s6s-25-dimethyl-5-4-methylpent-3-enylbicyclo410hept-2-ene.jpg "2D Structure of (1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.87% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.78% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.96% | 85.30% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.02% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.79% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.26% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.01% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.73% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.69% | 97.79% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.03% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.70% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.42% | 95.56% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.83% | 90.24% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.64% | 97.21% |
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.
| Marchantia chenopoda |
| PubChem | 10998132 |
| LOTUS | LTS0052834 |
| wikiData | Q104954463 |