Mammea B/AC cyclo D
| Internal ID | 5e568a3a-e6d6-474b-a00a-741ba5179c32 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Pyranocoumarins > Angular pyranocoumarins |
| IUPAC Name | 6-butanoyl-5-hydroxy-8,8-dimethyl-4-propylpyrano[2,3-h]chromen-2-one |
| SMILES (Canonical) | CCCC1=CC(=O)OC2=C3C=CC(OC3=C(C(=C12)O)C(=O)CCC)(C)C |
| SMILES (Isomeric) | CCCC1=CC(=O)OC2=C3C=CC(OC3=C(C(=C12)O)C(=O)CCC)(C)C |
| InChI | InChI=1S/C21H24O5/c1-5-7-12-11-15(23)25-19-13-9-10-21(3,4)26-20(13)17(14(22)8-6-2)18(24)16(12)19/h9-11,24H,5-8H2,1-4H3 |
| InChI Key | SMRSMFDNXPPPCA-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C21H24O5 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 4.40 |
| 6-butanoyl-5-hydroxy-8,8-dimethyl-4-propylpyrano[2,3-h]chromen-2-one |
| 34107-35-2 |
| 6-butanoyl-5-hydroxy-8,8-dimethyl-4-propylpyrano(2,3-h)chromen-2-one |
| RefChem:155536 |
| CHEMBL2064612 |
| CHEBI:175583 |
| DTXSID301315554 |
| 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 | 99.47% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.13% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.01% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.36% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.28% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.77% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.00% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.47% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.69% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.58% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.87% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.84% | 99.17% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.90% | 97.28% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.86% | 90.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.64% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.13% | 92.62% |
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.
| Mammea americana |
| Mammea siamensis |
| PubChem | 70684457 |
| NPASS | NPC221173 |
| ChEMBL | CHEMBL2064612 |
| LOTUS | LTS0170691 |
| wikiData | Q105256127 |