5-(2,3-dihydroxy-3-methylpent-4-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
| Internal ID | 9029094d-4118-40ab-8f44-3aaf0e7ca903 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 5-(2,3-dihydroxy-3-methylpent-4-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid |
| SMILES (Canonical) | CC12CCCC(C1CCC(=C)C2CC(C(C)(C=C)O)O)(C)C(=O)O |
| SMILES (Isomeric) | CC12CCCC(C1CCC(=C)C2CC(C(C)(C=C)O)O)(C)C(=O)O |
| InChI | InChI=1S/C20H32O4/c1-6-20(5,24)16(21)12-14-13(2)8-9-15-18(14,3)10-7-11-19(15,4)17(22)23/h6,14-16,21,24H,1-2,7-12H2,3-5H3,(H,22,23) |
| InChI Key | GGPPLWSUIOWFBI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O4 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 3.30 |
| ACon1_000798 |
| NCGC00169349-01 |
| BRD-A55069705-001-01-2 |
| 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 | 99.28% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.97% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.93% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.22% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.92% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.73% | 91.19% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.39% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.35% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.98% | 91.07% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.86% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.93% | 96.38% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.70% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.49% | 98.75% |
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.
| Chloranthus henryi |
| Juniperus chinensis |
| Metasequoia glyptostroboides |
| Platycladus orientalis |
| Pycnanthus angolensis |
| PubChem | 23844044 |
| LOTUS | LTS0166814 |
| wikiData | Q105008265 |