6-hydroxy-5-(3-hydroxy-3-methylpent-4-enyl)-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
| Internal ID | 0044207d-0ccf-4c21-96fb-dc15643f61e9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 6-hydroxy-5-(3-hydroxy-3-methylpent-4-enyl)-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid |
| SMILES (Canonical) | CC12CCCC(C1CCC(C2CCC(C)(C=C)O)(C)O)(C)C(=O)O |
| SMILES (Isomeric) | CC12CCCC(C1CCC(C2CCC(C)(C=C)O)(C)O)(C)C(=O)O |
| InChI | InChI=1S/C20H34O4/c1-6-17(2,23)12-8-15-18(3)10-7-11-19(4,16(21)22)14(18)9-13-20(15,5)24/h6,14-15,23-24H,1,7-13H2,2-5H3,(H,21,22) |
| InChI Key | ASUQJVFQUSIITP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O4 |
| Molecular Weight | 338.50 g/mol |
| Exact Mass | 338.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 3.50 |
| 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 | 98.62% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.36% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.67% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.49% | 95.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.04% | 96.47% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.98% | 91.07% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.69% | 97.93% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.56% | 96.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.20% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.12% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.37% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.66% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.56% | 93.03% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.47% | 90.93% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.24% | 97.64% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.08% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.57% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.38% | 97.05% |
| CHEMBL5028 | O14672 | ADAM10 | 80.05% | 97.50% |
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.
| Juniperus thurifera |
| PubChem | 162979632 |
| LOTUS | LTS0101631 |
| wikiData | Q104918077 |