4-Hydroxy-3,7-dimethyl-14-methylidene-15-oxo-16-oxatetracyclo[11.3.1.02,11.03,8]heptadec-2(11)-ene-7-carboxylic acid
Internal ID | 52f2683d-9848-4bc3-baef-d02f1d825ec7 |
Taxonomy | Organoheterocyclic compounds > Lactones > Delta valerolactones |
IUPAC Name | 4-hydroxy-3,7-dimethyl-14-methylidene-15-oxo-16-oxatetracyclo[11.3.1.02,11.03,8]heptadec-2(11)-ene-7-carboxylic acid |
SMILES (Canonical) | CC1(CCC(C2(C1CCC3=C2C4CC(C3)C(=C)C(=O)O4)C)O)C(=O)O |
SMILES (Isomeric) | CC1(CCC(C2(C1CCC3=C2C4CC(C3)C(=C)C(=O)O4)C)O)C(=O)O |
InChI | InChI=1S/C20H26O5/c1-10-12-8-11-4-5-14-19(2,18(23)24)7-6-15(21)20(14,3)16(11)13(9-12)25-17(10)22/h12-15,21H,1,4-9H2,2-3H3,(H,23,24) |
InChI Key | CGFRNNVBYXSTHE-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H26O5 |
Molecular Weight | 346.40 g/mol |
Exact Mass | 346.17802393 g/mol |
Topological Polar Surface Area (TPSA) | 83.80 Ų |
XlogP | 1.90 |
There are no found synonyms. |
![2D Structure of 4-Hydroxy-3,7-dimethyl-14-methylidene-15-oxo-16-oxatetracyclo[11.3.1.02,11.03,8]heptadec-2(11)-ene-7-carboxylic acid 2D Structure of 4-Hydroxy-3,7-dimethyl-14-methylidene-15-oxo-16-oxatetracyclo[11.3.1.02,11.03,8]heptadec-2(11)-ene-7-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/ca806cb0-8613-11ee-94a7-cd2b5aef1f0e.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 |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.78% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.09% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.85% | 97.09% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.82% | 99.23% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.05% | 100.00% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.02% | 91.19% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.53% | 89.00% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.38% | 97.05% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.05% | 95.56% |
CHEMBL5028 | O14672 | ADAM10 | 81.00% | 97.50% |
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.
Adenostemma brasilianum |
PubChem | 162949800 |
LOTUS | LTS0148107 |
wikiData | Q104957612 |