[12-(7,9-Dihydroxy-4,6-dimethyldec-4-en-2-yl)-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl] 12,13,15-trihydroxy-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoate
| Internal ID | 43d64e63-23e0-4175-8920-97f704ee8123 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | [12-(7,9-dihydroxy-4,6-dimethyldec-4-en-2-yl)-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl] 12,13,15-trihydroxy-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoate |
| SMILES (Canonical) | CC1CC(=CCC(OC(=O)CCCC1OC(=O)C=CC(=CC(=CC=CC(=CC(C(CC(C)O)O)O)C)C)C)C(C)CC(=CC(C)C(CC(C)O)O)C)C |
| SMILES (Isomeric) | CC1CC(=CCC(OC(=O)CCCC1OC(=O)C=CC(=CC(=CC=CC(=CC(C(CC(C)O)O)O)C)C)C)C(C)CC(=CC(C)C(CC(C)O)O)C)C |
| InChI | InChI=1S/C44H70O9/c1-28(13-11-14-29(2)25-39(48)40(49)27-37(10)46)21-30(3)18-20-44(51)52-41-15-12-16-43(50)53-42(19-17-31(4)22-34(41)7)35(8)24-32(5)23-33(6)38(47)26-36(9)45/h11,13-14,17-18,20-21,23,25,33-42,45-49H,12,15-16,19,22,24,26-27H2,1-10H3 |
| InChI Key | WKTLNJXZVDLRTJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C44H70O9 |
| Molecular Weight | 743.00 g/mol |
| Exact Mass | 742.50198381 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 8.70 |
| There are no found synonyms. |
![2D Structure of [12-(7,9-Dihydroxy-4,6-dimethyldec-4-en-2-yl)-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl] 12,13,15-trihydroxy-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoate](https://plantaedb.com/storage/docs/compounds/2023/11/87d16060-85ba-11ee-8ead-8b4ab70d8e1f.jpg "2D Structure of [12-(7,9-Dihydroxy-4,6-dimethyldec-4-en-2-yl)-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl] 12,13,15-trihydroxy-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.31% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.62% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.06% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.43% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.68% | 93.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.48% | 90.08% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.51% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.31% | 97.14% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 89.26% | 94.66% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.46% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.41% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.77% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.64% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.33% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.44% | 96.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.09% | 96.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.62% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.92% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.72% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.18% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.46% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.02% | 91.19% |
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 | 74053234 |
| LOTUS | LTS0218313 |
| wikiData | Q104200316 |