Cyclomammein
| Internal ID | 4f66e2f6-558f-4490-87fb-b04b00697695 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Angular furanocoumarins |
| IUPAC Name | 4-hydroxy-2-(2-hydroxypropan-2-yl)-5-(3-methylbutanoyl)-9-propyl-2,3-dihydrofuro[2,3-f]chromen-7-one |
| SMILES (Canonical) | CCCC1=CC(=O)OC2=C(C(=C3CC(OC3=C12)C(C)(C)O)O)C(=O)CC(C)C |
| SMILES (Isomeric) | CCCC1=CC(=O)OC2=C(C(=C3CC(OC3=C12)C(C)(C)O)O)C(=O)CC(C)C |
| InChI | InChI=1S/C22H28O6/c1-6-7-12-9-16(24)28-21-17(12)20-13(10-15(27-20)22(4,5)26)19(25)18(21)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3 |
| InChI Key | TVYLJAPSHFFCMT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O6 |
| Molecular Weight | 388.50 g/mol |
| Exact Mass | 388.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 3.90 |
| Mammea B/BA cyclo F |
| CHEBI:175940 |
| DTXSID501106242 |
| 30390-03-5 |
| 2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(3-methyl-1-oxobutyl)-9-propyl-7H-furo[2,3-f][1]benzopyran-7-one |
| 2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(3-methyl-1-oxobutyl)-9-propyl-7H-furo[2,3-f][1]benzopyran-7-one, 9CI |
| 4-hydroxy-2-(2-hydroxypropan-2-yl)-5-(3-methylbutanoyl)-9-propyl-2,3-dihydrouro[2,3-]chromen-7-one |
| 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 | 99.12% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.92% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.01% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 97.81% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.65% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.27% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.63% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.21% | 93.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.00% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.98% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.13% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.53% | 90.71% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.24% | 90.93% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 83.79% | 95.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.68% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.47% | 95.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.29% | 85.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.15% | 97.09% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.22% | 96.37% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.17% | 91.19% |
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.
| Calophyllum brasiliense |
| Mammea americana |
| PubChem | 101967071 |
| LOTUS | LTS0073655 |
| wikiData | Q105265633 |