Lehualide F
| Internal ID | 881d0f9e-6cc0-4d45-837b-71745e0ac73e |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | 4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-enyl]pyran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H30O4/c1-17(11-7-4-5-8-12-19-13-9-6-10-14-19)15-16-20-18(2)21(24)22(26-3)23(25)27-20/h6,9-10,13-15,24H,4-5,7-8,11-12,16H2,1-3H3/b17-15+ |
| InChI Key | RLHYLTRNTUTEBU-BMRADRMJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H30O4 |
| Molecular Weight | 370.50 g/mol |
| Exact Mass | 370.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 6.20 |
| CHEBI:68006 |
| CHEMBL1773930 |
| DTXSID201126990 |
| Q27136489 |
| 2H-Pyran-2-one, 4-hydroxy-3-methoxy-5-methyl-6-[(2E)-3-methyl-9-phenyl-2-nonen-1-yl]- |
| 4-hydroxy-3-methoxy-5-methyl-6-[(2E)-3-methyl-9-phenylnon-2-en-1-yl]-2H-pyran-2-one |
| 1280217-95-9 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.94% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.05% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.71% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.39% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.05% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.62% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.40% | 95.50% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 87.14% | 92.51% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.28% | 91.49% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.26% | 94.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.09% | 99.23% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.16% | 92.08% |
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 | 54728953 |
| LOTUS | LTS0080289 |
| wikiData | Q27136489 |