Corymbotin D
Internal ID | 1ac4286e-65bb-4c78-b244-c93a23b85482 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
IUPAC Name | [(1R,3S,5R,6aR,7S,8S,10R,10aR)-1,3-diacetyloxy-10-hydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] acetate |
SMILES (Canonical) | CC1CC(C23C(C1(C)CC=C(C)C=C)CC(C=C2C(OC3OC(=O)C)OC(=O)C)OC(=O)C)O |
SMILES (Isomeric) | C[C@H]1C[C@H]([C@@]23[C@@H]([C@@]1(C)C/C=C(\C)/C=C)C[C@H](C=C2[C@@H](O[C@@H]3OC(=O)C)OC(=O)C)OC(=O)C)O |
InChI | InChI=1S/C26H36O8/c1-8-14(2)9-10-25(7)15(3)11-22(30)26-20(12-19(13-21(25)26)31-16(4)27)23(32-17(5)28)34-24(26)33-18(6)29/h8-9,12,15,19,21-24,30H,1,10-11,13H2,2-7H3/b14-9+/t15-,19-,21+,22+,23+,24-,25-,26-/m0/s1 |
InChI Key | WJNZZTDLRUZPHL-FJAXPXSKSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H36O8 |
Molecular Weight | 476.60 g/mol |
Exact Mass | 476.24101810 g/mol |
Topological Polar Surface Area (TPSA) | 108.00 Ų |
XlogP | 3.60 |
NSC686143 |
NSC-686143 |
![2D Structure of Corymbotin D 2D Structure of Corymbotin D](https://plantaedb.com/storage/docs/compounds/2023/11/corymbotin-d.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 | 96.35% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.04% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.27% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 90.58% | 98.95% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.40% | 96.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.00% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.59% | 89.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.93% | 100.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.29% | 85.14% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.16% | 94.73% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.85% | 91.07% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.68% | 91.19% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.40% | 95.56% |
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.
Casearia corymbosa |
PubChem | 5469321 |
LOTUS | LTS0159403 |
wikiData | Q105306965 |