Caryophyllene formate
| Internal ID | 88b91f42-845d-4715-9597-6bc6e24da9db |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | (4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl) formate |
| SMILES (Canonical) | CC1(CC2C1CCC3(CCCC2(C3)OC=O)C)C |
| SMILES (Isomeric) | CC1(CC2C1CCC3(CCCC2(C3)OC=O)C)C |
| InChI | InChI=1S/C16H26O2/c1-14(2)9-13-12(14)5-8-15(3)6-4-7-16(13,10-15)18-11-17/h11-13H,4-10H2,1-3H3 |
| InChI Key | BGEIOYHSLPDHJC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H26O2 |
| Molecular Weight | 250.38 g/mol |
| Exact Mass | 250.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.70 |
| 58096-46-1 |
| DTXSID50866673 |
| (4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl) formate |
| UNII-6CS460KB0F |
| EINECS 261-117-2 |
| 4,4,8-TRIMETHYLTRICYCLO[6.3.1.02,5]DODECAN-1-YL FORMATE |
| 1-formyloxy-caryolane |
| caryolan |
| neopatchouli |
| 4,4,8-Trimethyltricyclo(6.3.1.02,5)dodecan-1-yl formate |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 95.43% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.90% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.30% | 97.09% |
| CHEMBL240 | Q12809 | HERG | 89.14% | 89.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.86% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.65% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.79% | 100.00% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 81.00% | 95.69% |
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.
| Zingiber mioga |
| PubChem | 93947 |
| LOTUS | LTS0134015 |
| wikiData | Q104253267 |