Carpalasionin
Internal ID | f3ecb507-f66b-4a29-8608-0b0f46cb8c16 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
IUPAC Name | [(1S,4S,7R,8R,9R,12S,13S,14R,16S)-9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-7-yl]methyl acetate |
SMILES (Canonical) | CC(=O)OCC1(CCC2C3(C1C(OC3)O)C4C(CC5CC4(C(=O)C5=C)C(=O)O2)O)C |
SMILES (Isomeric) | CC(=O)OC[C@@]1(CC[C@H]2[C@]3([C@@H]1[C@@H](OC3)O)[C@@H]4[C@@H](C[C@@H]5C[C@]4(C(=O)C5=C)C(=O)O2)O)C |
InChI | InChI=1S/C22H28O8/c1-10-12-6-13(24)15-21(7-12,17(10)25)19(27)30-14-4-5-20(3,8-28-11(2)23)16-18(26)29-9-22(14,15)16/h12-16,18,24,26H,1,4-9H2,2-3H3/t12-,13-,14+,15-,16-,18-,20+,21+,22+/m1/s1 |
InChI Key | WORCTCAHGPHFQO-WEOPCBAZSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H28O8 |
Molecular Weight | 420.50 g/mol |
Exact Mass | 420.17841785 g/mol |
Topological Polar Surface Area (TPSA) | 119.00 Ų |
XlogP | 0.80 |
83150-97-4 |
HY-N7533 |
AKOS032962758 |
CS-0132721 |
[(1S,4S,7R,8R,9R,12S,13S,14R,16S)-9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-7-yl]methyl acetate |
![2D Structure of Carpalasionin 2D Structure of Carpalasionin](https://plantaedb.com/storage/docs/compounds/2023/11/carpalasionin.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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.15% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.90% | 97.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.03% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.68% | 91.11% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.48% | 96.38% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.71% | 85.14% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.62% | 97.25% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 92.43% | 95.93% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.01% | 90.17% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.78% | 100.00% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.48% | 91.19% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.25% | 94.33% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.15% | 82.69% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.56% | 94.75% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.38% | 97.14% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.29% | 95.50% |
CHEMBL1871 | P10275 | Androgen Receptor | 83.26% | 96.43% |
CHEMBL5028 | O14672 | ADAM10 | 82.85% | 97.50% |
CHEMBL2581 | P07339 | Cathepsin D | 82.08% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.89% | 86.33% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.77% | 91.07% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.64% | 89.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.73% | 99.23% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.41% | 95.71% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.12% | 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.
Isodon serra |
PubChem | 101599958 |
LOTUS | LTS0109592 |
wikiData | Q105309650 |