(3aS,10S,11E,14E,15aS)-10-hydroxy-6,10,14-trimethyl-3-methylidene-4,5,8,9,13,15a-hexahydro-3aH-cyclotetradeca[b]furan-2-one
| Internal ID | 2b2abee7-72cb-451a-8903-9c9bd31858ca |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones > Cembranolides |
| IUPAC Name | (3aS,10S,11E,14E,15aS)-10-hydroxy-6,10,14-trimethyl-3-methylidene-4,5,8,9,13,15a-hexahydro-3aH-cyclotetradeca[b]furan-2-one |
| SMILES (Canonical) | CC1=CCCC(C=CCC(=CC2C(CC1)C(=C)C(=O)O2)C)(C)O |
| SMILES (Isomeric) | CC1=CCC[C@](/C=C/C/C(=C/[C@H]2[C@@H](CC1)C(=C)C(=O)O2)/C)(C)O |
| InChI | InChI=1S/C20H28O3/c1-14-7-5-11-20(4,22)12-6-8-15(2)13-18-17(10-9-14)16(3)19(21)23-18/h6-7,12-13,17-18,22H,3,5,8-11H2,1-2,4H3/b12-6+,14-7?,15-13+/t17-,18-,20-/m0/s1 |
| InChI Key | ZTULQXRZMLCWON-MLUZHVNYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (3aS,10S,11E,14E,15aS)-10-hydroxy-6,10,14-trimethyl-3-methylidene-4,5,8,9,13,15a-hexahydro-3aH-cyclotetradeca[b]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4ab81e00-85d2-11ee-b926-5d249bf77f2c.jpg "2D Structure of (3aS,10S,11E,14E,15aS)-10-hydroxy-6,10,14-trimethyl-3-methylidene-4,5,8,9,13,15a-hexahydro-3aH-cyclotetradeca[b]furan-2-one")
| 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 | 95.13% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.81% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.14% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.42% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.76% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.62% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.42% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.26% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.96% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.42% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.39% | 95.89% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.82% | 96.00% |
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.
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| There are no matching plants. |
| PubChem | 163022365 |
| LOTUS | LTS0028858 |
| wikiData | Q105383226 |