CID 163097292
| Internal ID | 3df102c3-8886-4d04-8f05-b7705591f453 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | |
| SMILES (Canonical) | CC1CCC2C(CCCC2(C13CCC4(O3)CC(OC4OC)OC)C)(C)C |
| SMILES (Isomeric) | C[C@H]1CC[C@H]2[C@]([C@]13CC[C@@]4(O3)C[C@H](O[C@H]4OC)OC)(CCCC2(C)C)C |
| InChI | InChI=1S/C22H38O4/c1-15-8-9-16-19(2,3)10-7-11-20(16,4)22(15)13-12-21(26-22)14-17(23-5)25-18(21)24-6/h15-18H,7-14H2,1-6H3/t15-,16+,17-,18+,20+,21+,22-/m0/s1 |
| InChI Key | DDLXKCMOPRPBNK-CZLQCDLFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H38O4 |
| Molecular Weight | 366.50 g/mol |
| Exact Mass | 366.27700969 g/mol |
| Topological Polar Surface Area (TPSA) | 36.90 Ų |
| XlogP | 5.10 |
| 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 | 95.39% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.88% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.46% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.88% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.63% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.90% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.33% | 91.11% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.03% | 99.18% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.12% | 97.14% |
| CHEMBL3920 | Q04759 | Protein kinase C theta | 84.64% | 97.69% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 84.62% | 98.99% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.44% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.72% | 100.00% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 83.44% | 94.50% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.26% | 97.33% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.67% | 96.43% |
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.
| Vitex rotundifolia |
| PubChem | 163097292 |
| LOTUS | LTS0069469 |
| wikiData | Q104976561 |