Methylmitrekaurenate
Internal ID | d35c17b6-69ed-4741-a32f-0130dc524b99 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | (1R,2S,5R)-2-[(1S,2S,3R)-2-carboxy-3-methoxycarbonyl-1,3-dimethylcyclohexyl]-6-methylidenebicyclo[3.2.1]octane-1-carboxylic acid |
SMILES (Canonical) | CC1(CCCC(C1C(=O)O)(C)C(=O)OC)C2CCC3CC2(CC3=C)C(=O)O |
SMILES (Isomeric) | C[C@]1(CCC[C@@]([C@H]1C(=O)O)(C)C(=O)OC)[C@@H]2CC[C@@H]3C[C@]2(CC3=C)C(=O)O |
InChI | InChI=1S/C21H30O6/c1-12-10-21(17(24)25)11-13(12)6-7-14(21)19(2)8-5-9-20(3,18(26)27-4)15(19)16(22)23/h13-15H,1,5-11H2,2-4H3,(H,22,23)(H,24,25)/t13-,14+,15+,19+,20-,21+/m1/s1 |
InChI Key | KXRIJKYODUQSSO-XAKDGQKMSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C21H30O6 |
Molecular Weight | 378.50 g/mol |
Exact Mass | 378.20423867 g/mol |
Topological Polar Surface Area (TPSA) | 101.00 Ų |
XlogP | 3.20 |
CHEMBL1079780 |
![2D Structure of Methylmitrekaurenate 2D Structure of Methylmitrekaurenate](https://plantaedb.com/storage/docs/compounds/2023/11/methylmitrekaurenate.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 | 93.55% | 96.09% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.21% | 90.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.97% | 91.11% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.41% | 91.19% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.12% | 94.45% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.46% | 96.38% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.69% | 97.25% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.30% | 95.89% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.77% | 100.00% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.92% | 95.50% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.57% | 93.00% |
CHEMBL2581 | P07339 | Cathepsin D | 82.76% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.35% | 97.09% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.03% | 91.07% |
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.
Mitrephora glabra |
PubChem | 44606073 |
LOTUS | LTS0213572 |
wikiData | Q105147476 |