3,6,19-Trimethyl-9-prop-1-en-2-yl-16-oxapentacyclo[12.5.1.03,11.06,10.017,20]icos-13-en-17-ol
| Internal ID | f87957e4-d672-45d3-8774-005f0903b6c7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 3,6,19-trimethyl-9-prop-1-en-2-yl-16-oxapentacyclo[12.5.1.03,11.06,10.017,20]icos-13-en-17-ol |
| SMILES (Canonical) | CC1CC2(C3C1CC4(CCC5(CCC(C5C4CC=C3CO2)C(=C)C)C)C)O |
| SMILES (Isomeric) | CC1CC2(C3C1CC4(CCC5(CCC(C5C4CC=C3CO2)C(=C)C)C)C)O |
| InChI | InChI=1S/C25H38O2/c1-15(2)18-8-9-23(4)10-11-24(5)13-19-16(3)12-25(26)21(19)17(14-27-25)6-7-20(24)22(18)23/h6,16,18-22,26H,1,7-14H2,2-5H3 |
| InChI Key | KKLLBIFNYVWKON-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H38O2 |
| Molecular Weight | 370.60 g/mol |
| Exact Mass | 370.287180451 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 3,6,19-Trimethyl-9-prop-1-en-2-yl-16-oxapentacyclo[12.5.1.03,11.06,10.017,20]icos-13-en-17-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3619-trimethyl-9-prop-1-en-2-yl-16-oxapentacyclo12510311061001720icos-13-en-17-ol.jpg "2D Structure of 3,6,19-Trimethyl-9-prop-1-en-2-yl-16-oxapentacyclo[12.5.1.03,11.06,10.017,20]icos-13-en-17-ol")
| 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 | 97.28% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.17% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.52% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.21% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.82% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.34% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.81% | 94.75% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 83.31% | 91.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.12% | 97.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.06% | 94.80% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.25% | 97.09% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.18% | 95.38% |
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.
| Aegiphila obducta |
| Cajanus cajan |
| Dracaena cinnabari |
| Zea mays |
| PubChem | 78412746 |
| LOTUS | LTS0073222 |
| wikiData | Q105256543 |