(1-acetyloxy-3-hydroxypropan-2-yl) 5-(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoate
| Internal ID | 64feafe9-6a1d-40bc-8634-5dd8f9c38d8f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | (1-acetyloxy-3-hydroxypropan-2-yl) 5-(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoate |
| SMILES (Canonical) | CC1CCC2(C(C1(C)CCC(=CC(=O)OC(CO)COC(=O)C)C)CCCC2=C)C |
| SMILES (Isomeric) | CC1CCC2(C(C1(C)CCC(=CC(=O)OC(CO)COC(=O)C)C)CCCC2=C)C |
| InChI | InChI=1S/C25H40O5/c1-17(14-23(28)30-21(15-26)16-29-20(4)27)10-12-24(5)19(3)11-13-25(6)18(2)8-7-9-22(24)25/h14,19,21-22,26H,2,7-13,15-16H2,1,3-6H3 |
| InChI Key | LFXKMQSYTSCJPN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H40O5 |
| Molecular Weight | 420.60 g/mol |
| Exact Mass | 420.28757437 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 6.00 |
| 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 | 97.68% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.27% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.16% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.10% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.21% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.19% | 97.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.14% | 91.19% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.01% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.53% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.47% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.30% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.91% | 98.75% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.79% | 91.24% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.62% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.77% | 82.69% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.48% | 98.10% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.19% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.01% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.72% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.12% | 100.00% |
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 | 75113282 |
| LOTUS | LTS0063975 |
| wikiData | Q105151197 |