11-Methoxycarbonyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Internal ID | c208a5f4-eda2-4e11-b51e-6b234450210d |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | 11-methoxycarbonyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
SMILES (Canonical) | CC12CCCC(C1CCC34C2C(CC(C3)C(=C)C4)C(=O)OC)(C)C(=O)O |
SMILES (Isomeric) | CC12CCCC(C1CCC34C2C(CC(C3)C(=C)C4)C(=O)OC)(C)C(=O)O |
InChI | InChI=1S/C22H32O4/c1-13-11-22-9-6-16-20(2,7-5-8-21(16,3)19(24)25)17(22)15(18(23)26-4)10-14(13)12-22/h14-17H,1,5-12H2,2-4H3,(H,24,25) |
InChI Key | RTKBAHIMJWIYMY-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H32O4 |
Molecular Weight | 360.50 g/mol |
Exact Mass | 360.23005950 g/mol |
Topological Polar Surface Area (TPSA) | 63.60 Ų |
XlogP | 4.60 |
There are no found synonyms. |
![2D Structure of 11-Methoxycarbonyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid 2D Structure of 11-Methoxycarbonyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/48476690-85a4-11ee-849f-390a7ca67ce2.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 |
---|---|---|---|---|
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.30% | 96.38% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.05% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.08% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.00% | 94.45% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.87% | 91.19% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.18% | 90.17% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.43% | 97.25% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.42% | 95.50% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.56% | 95.56% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.78% | 91.07% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.59% | 94.33% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.27% | 100.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.14% | 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.
Pseudognaphalium schraderi |
PubChem | 162980782 |
LOTUS | LTS0166535 |
wikiData | Q105245185 |