Phellinulin I
| Internal ID | ecd66f64-b210-4127-9cdb-9f364df3f148 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 5-[(1R,2S)-2-hydroxy-2-(hydroxymethyl)-6,6-dimethylcyclohexyl]-3-methylpenta-2,4-dienoic acid |
| SMILES (Canonical) | CC(=CC(=O)O)C=CC1C(CCCC1(CO)O)(C)C |
| SMILES (Isomeric) | CC(=CC(=O)O)C=C[C@H]1[C@@](CCCC1(C)C)(CO)O |
| InChI | InChI=1S/C15H24O4/c1-11(9-13(17)18)5-6-12-14(2,3)7-4-8-15(12,19)10-16/h5-6,9,12,16,19H,4,7-8,10H2,1-3H3,(H,17,18)/t12-,15-/m1/s1 |
| InChI Key | CPCPGWKAUSNIIR-IUODEOHRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O4 |
| Molecular Weight | 268.35 g/mol |
| Exact Mass | 268.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 2.30 |
| 5-[(1R,2S)-2-hydroxy-2-(hydroxymethyl)-6,6-dimethylcyclohexyl]-3-methylpenta-2,4-dienoic acid |
| 5-((1R,2S)-2-Hydroxy-2-(hydroxymethyl)-6,6-dimethylcyclohexyl)-3-methylpenta-2,4-dienoate |
| 5-[(1R,2S)-2-Hydroxy-2-(hydroxymethyl)-6,6-dimethylcyclohexyl]-3-methylpenta-2,4-dienoate |
| 5-((1R,2S)-2-hydroxy-2-(hydroxymethyl)-6,6-dimethylcyclohexyl)-3-methylpenta-2,4-dienoic acid |
| RefChem:172555 |
| CHEBI:216586 |
| 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 |
|---|---|---|---|---|
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 96.23% | 91.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.38% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.27% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.55% | 96.09% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 90.90% | 95.00% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 90.33% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.66% | 97.93% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.41% | 83.82% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.70% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.62% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.03% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.94% | 86.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.71% | 91.24% |
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.
| There are no matching plants. |
| PubChem | 146684170 |
| LOTUS | LTS0137639 |
| wikiData | Q104967433 |