Purpureacin 2
Internal ID | 0a431d95-3257-46b0-8350-9dd7b7c62dff |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
IUPAC Name | 2-methyl-4-[2,10,13-trihydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2H-furan-5-one |
SMILES (Canonical) | CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCC(CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O |
SMILES (Isomeric) | CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCC(CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O |
InChI | InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(40)33-21-23-35(44-33)36-24-22-34(45-36)32(41)20-19-29(38)16-13-10-9-11-14-17-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3 |
InChI Key | DDFDZKSKODBLSR-UHFFFAOYSA-N |
Popularity | 4 references in papers |
Molecular Formula | C37H66O8 |
Molecular Weight | 638.90 g/mol |
Exact Mass | 638.47576906 g/mol |
Topological Polar Surface Area (TPSA) | 126.00 Ų |
XlogP | 8.20 |
12-Hydroxybullatacin |
149990-60-3 |
DTXSID701107539 |
2(5H)-Furanone, 5-methyl-3-[2,10,13-trihydroxy-13-[octahydro-5'-(1-hydroxyundecyl)[2,2'-bifuran]-5-yl]tridecyl]- |
![2D Structure of Purpureacin 2 2D Structure of Purpureacin 2](https://plantaedb.com/storage/docs/compounds/2023/11/purpureacin-2.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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.31% | 97.25% |
CHEMBL2581 | P07339 | Cathepsin D | 96.17% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.98% | 96.09% |
CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 92.17% | 85.94% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.41% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.35% | 94.73% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.75% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.68% | 95.56% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.14% | 100.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.50% | 97.09% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.62% | 90.71% |
CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.61% | 92.88% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.10% | 86.33% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.08% | 97.29% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.94% | 92.08% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.74% | 93.56% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.69% | 97.14% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.24% | 100.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.21% | 99.23% |
CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 80.06% | 95.00% |
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.
Annona crassiflora |
Annona purpurea |
PubChem | 3728292 |
LOTUS | LTS0218883 |
wikiData | Q104976307 |