(5R,8S)-4-hydroxy-5-(hydroxymethyl)-8-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
| Internal ID | 64d4bb59-43db-4950-ad86-ec19a5291231 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Biflorane and serrulatane diterpenoids |
| IUPAC Name | (5R,8S)-4-hydroxy-5-(hydroxymethyl)-8-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
| SMILES (Canonical) | CC(CCC=C(C)C)C1CCC(C2=C1C=C(C=C2O)C(=O)O)CO |
| SMILES (Isomeric) | C[C@@H](CCC=C(C)C)[C@@H]1CC[C@H](C2=C1C=C(C=C2O)C(=O)O)CO |
| InChI | InChI=1S/C20H28O4/c1-12(2)5-4-6-13(3)16-8-7-14(11-21)19-17(16)9-15(20(23)24)10-18(19)22/h5,9-10,13-14,16,21-22H,4,6-8,11H2,1-3H3,(H,23,24)/t13-,14-,16-/m0/s1 |
| InChI Key | WPAIYQYGYZEDNV-DZKIICNBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (5R,8S)-4-hydroxy-5-(hydroxymethyl)-8-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/cb035f70-82f4-11ee-a3ac-cd36f02b9be5.jpg "2D Structure of (5R,8S)-4-hydroxy-5-(hydroxymethyl)-8-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.09% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.60% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.33% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.22% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.89% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.60% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.81% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.80% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.51% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.40% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.83% | 95.56% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.37% | 90.24% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.43% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.21% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.37% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.29% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.15% | 86.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.05% | 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.
| Eremophila glabra |
| Eremophila serrulata |
| PubChem | 14466281 |
| LOTUS | LTS0065597 |
| wikiData | Q105309768 |