Anandin B
| Internal ID | 0689e736-a13a-454e-925b-bf0660ad0e5b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (3aR,5aR,6R,8aR)-6-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3a-hydroxy-3-(2-hydroxyethyl)-5a-methyl-4,5,6,7,8,8a-hexahydrocyclopenta[e]indol-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H37NO3/c1-15(2)16(3)6-7-17(4)18-8-9-19-20-14-21(26)24(12-13-25)23(20,27)11-10-22(18,19)5/h6-7,14-19,25,27H,8-13H2,1-5H3/b7-6+/t16-,17+,18+,19-,22+,23+/m0/s1 |
| InChI Key | PBLOCDCERMQMPR-VUDRLWBISA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C23H37NO3 |
| Molecular Weight | 375.50 g/mol |
| Exact Mass | 375.27734404 g/mol |
| Topological Polar Surface Area (TPSA) | 60.80 Ų |
| XlogP | 3.50 |
| CHEMBL5182430 |
| 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 | 98.18% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.34% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.23% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.48% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 95.03% | 82.69% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.24% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.09% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.15% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.95% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.47% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.22% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.78% | 94.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.12% | 91.07% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.15% | 93.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.09% | 90.08% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 81.32% | 96.31% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.29% | 92.86% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.16% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.86% | 86.33% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.86% | 94.66% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.18% | 91.49% |
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.
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| There are no matching plants. |
| PubChem | 139590525 |
| LOTUS | LTS0098316 |
| wikiData | Q105205256 |