2-[3,5-Dimethyl-2-methylidene-6-[[3-(4-methylphenyl)oxiran-2-yl]methyl]hept-6-enyl]-3-(4-methylphenyl)oxirane
| Internal ID | 663bd61c-d426-4b95-be74-5636ff27db2c |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Toluenes |
| IUPAC Name | 2-[3,5-dimethyl-2-methylidene-6-[[3-(4-methylphenyl)oxiran-2-yl]methyl]hept-6-enyl]-3-(4-methylphenyl)oxirane |
| SMILES (Canonical) | CC1=CC=C(C=C1)C2C(O2)CC(=C)C(C)CC(C)C(=C)CC3C(O3)C4=CC=C(C=C4)C |
| SMILES (Isomeric) | CC1=CC=C(C=C1)C2C(O2)CC(=C)C(C)CC(C)C(=C)CC3C(O3)C4=CC=C(C=C4)C |
| InChI | InChI=1S/C29H36O2/c1-18-7-11-24(12-8-18)28-26(30-28)16-22(5)20(3)15-21(4)23(6)17-27-29(31-27)25-13-9-19(2)10-14-25/h7-14,20-21,26-29H,5-6,15-17H2,1-4H3 |
| InChI Key | CTHDLZOITPXSJS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H36O2 |
| Molecular Weight | 416.60 g/mol |
| Exact Mass | 416.271530387 g/mol |
| Topological Polar Surface Area (TPSA) | 25.10 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of 2-[3,5-Dimethyl-2-methylidene-6-[[3-(4-methylphenyl)oxiran-2-yl]methyl]hept-6-enyl]-3-(4-methylphenyl)oxirane](https://plantaedb.com/storage/docs/compounds/2023/11/73db43e0-8654-11ee-9215-9920ce3ca906.jpg "2D Structure of 2-[3,5-Dimethyl-2-methylidene-6-[[3-(4-methylphenyl)oxiran-2-yl]methyl]hept-6-enyl]-3-(4-methylphenyl)oxirane")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.27% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.26% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.09% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.30% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.29% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.85% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.94% | 93.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.50% | 89.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.18% | 97.25% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.84% | 90.24% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.49% | 90.93% |
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.
| Machilus zuihoensis |
| PubChem | 72830626 |
| LOTUS | LTS0079813 |
| wikiData | Q104969795 |