Mammea C/AA
Internal ID | 929ba92f-f96f-4834-b5bf-a4f05155325e |
Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins |
IUPAC Name | 5,7-dihydroxy-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-pentylchromen-2-one |
SMILES (Canonical) | CCCCCC1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)CC(C)C)O |
SMILES (Isomeric) | CCCCCC1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)CC(C)C)O |
InChI | InChI=1S/C24H32O5/c1-6-7-8-9-16-13-19(26)29-24-17(11-10-14(2)3)22(27)21(23(28)20(16)24)18(25)12-15(4)5/h10,13,15,27-28H,6-9,11-12H2,1-5H3 |
InChI Key | XLQSXCISSFNQTD-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C24H32O5 |
Molecular Weight | 400.50 g/mol |
Exact Mass | 400.22497412 g/mol |
Topological Polar Surface Area (TPSA) | 83.80 Ų |
XlogP | 6.60 |
CHEBI:69982 |
CHEMBL1689177 |
BDBM50483556 |
Q27138326 |
![2D Structure of Mammea C/AA 2D Structure of Mammea C/AA](https://plantaedb.com/storage/docs/compounds/2023/11/mammea-caa.jpg)
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 | 99.16% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.93% | 98.95% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 98.68% | 89.34% |
CHEMBL3401 | O75469 | Pregnane X receptor | 97.11% | 94.73% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.94% | 94.45% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.31% | 99.17% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.42% | 97.21% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.31% | 86.33% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.26% | 96.95% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.22% | 90.71% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.91% | 92.08% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.13% | 89.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.95% | 96.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.01% | 95.56% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.67% | 95.17% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.63% | 96.90% |
CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.60% | 85.94% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.26% | 100.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.17% | 99.23% |
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.
Cnidium monnieri |
Mammea americana |
Torilis japonica |
Ulmus davidiana var. japonica |
PubChem | 51040689 |
LOTUS | LTS0216493 |
wikiData | Q105118666 |