12-Acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Internal ID | c550a76a-3df5-4045-8d06-150e425ea574 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | 12-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
SMILES (Canonical) | CC(=O)OC1CC2C3(CCCC(C3CCC24CC1C(=C)C4)(C)C(=O)O)C |
SMILES (Isomeric) | CC(=O)OC1CC2C3(CCCC(C3CCC24CC1C(=C)C4)(C)C(=O)O)C |
InChI | InChI=1S/C22H32O4/c1-13-11-22-9-6-17-20(3,7-5-8-21(17,4)19(24)25)18(22)10-16(15(13)12-22)26-14(2)23/h15-18H,1,5-12H2,2-4H3,(H,24,25) |
InChI Key | YGVIOEWPGBSUAX-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 | 4.50 |
There are no found synonyms. |
![2D Structure of 12-Acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid 2D Structure of 12-Acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/12-acetyloxy-59-dimethyl-14-methylidenetetracyclo11210110049hexadecane-5-carboxylic-acid.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 | 94.97% | 94.45% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.23% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.12% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.11% | 91.11% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.36% | 91.19% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.88% | 94.08% |
CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 84.66% | 97.53% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.29% | 95.56% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.80% | 91.07% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.61% | 97.09% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.58% | 95.50% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.22% | 93.04% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.82% | 94.62% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.97% | 90.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.58% | 95.89% |
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.
Helianthus decapetalus |
Helianthus simulans |
Helianthus tuberosus |
Mikania arrojadoi |
PubChem | 162880620 |
LOTUS | LTS0161104 |
wikiData | Q105348277 |