(2S,3R,3aR,6E,10E,11aS)-2-methoxy-3,6,10-trimethyl-2-[(E)-3-methylbut-1-enyl]-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan
| Internal ID | 28948e34-83a6-4031-aa0f-871fb9561406 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids |
| IUPAC Name | (2S,3R,3aR,6E,10E,11aS)-2-methoxy-3,6,10-trimethyl-2-[(E)-3-methylbut-1-enyl]-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan |
| SMILES (Canonical) | CC1C2CCC(=CCCC(=CC2OC1(C=CC(C)C)OC)C)C |
| SMILES (Isomeric) | C[C@@H]1[C@H]2CC/C(=C/CC/C(=C/[C@H]2O[C@]1(/C=C/C(C)C)OC)/C)/C |
| InChI | InChI=1S/C21H34O2/c1-15(2)12-13-21(22-6)18(5)19-11-10-16(3)8-7-9-17(4)14-20(19)23-21/h8,12-15,18-20H,7,9-11H2,1-6H3/b13-12+,16-8+,17-14+/t18-,19-,20-,21+/m1/s1 |
| InChI Key | YRXSXXBSTKYKQU-NDDDQGJPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H34O2 |
| Molecular Weight | 318.50 g/mol |
| Exact Mass | 318.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 18.50 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (2S,3R,3aR,6E,10E,11aS)-2-methoxy-3,6,10-trimethyl-2-[(E)-3-methylbut-1-enyl]-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan](https://plantaedb.com/storage/docs/compounds/2023/11/ab1114e0-8368-11ee-a834-29f24e12817c.jpg "2D Structure of (2S,3R,3aR,6E,10E,11aS)-2-methoxy-3,6,10-trimethyl-2-[(E)-3-methylbut-1-enyl]-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan")
| 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 | 96.83% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.09% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.37% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.31% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.28% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.89% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.80% | 97.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.19% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.79% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.31% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.75% | 96.43% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.92% | 86.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.76% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.81% | 94.80% |
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 | 163041476 |
| LOTUS | LTS0114418 |
| wikiData | Q105353229 |