Crovatin
| Internal ID | 63fcdc60-0196-415b-a33d-e1fd21b16a92 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | methyl (7S,9R,11R,16R,17R)-7-(furan-3-yl)-4-methyl-8,10,12-trioxapentacyclo[11.3.1.01,11.05,9.05,16]heptadecane-17-carboxylate |
| SMILES (Canonical) | CC1CCC23C4C15CC(OC5OC2OC(C3C(=O)OC)CC4)C6=COC=C6 |
| SMILES (Isomeric) | CC1CCC23[C@H]4C15C[C@H](O[C@@H]5O[C@H]2OC([C@@H]3C(=O)OC)CC4)C6=COC=C6 |
| InChI | InChI=1S/C21H26O6/c1-11-5-7-20-15-4-3-13(16(20)17(22)23-2)25-18(20)27-19-21(11,15)9-14(26-19)12-6-8-24-10-12/h6,8,10-11,13-16,18-19H,3-5,7,9H2,1-2H3/t11?,13?,14-,15-,16+,18+,19+,20?,21?/m0/s1 |
| InChI Key | GRJSIUBKDJRQIL-OEGUFJNYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O6 |
| Molecular Weight | 374.40 g/mol |
| Exact Mass | 374.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 67.10 Ų |
| XlogP | 2.80 |
| NSC653859 |
| methyl (7S,9R,11R,16R,17R)-7-(furan-3-yl)-4-methyl-8,10,12-trioxapentacyclo[11.3.1.01,11.05,9.05,16]heptadecane-17-carboxylate |
| CHEMBL1996629 |
| NSC-653859 |
| NCI60_018758 |
| 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 | 96.90% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.96% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.39% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.60% | 94.80% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.41% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.62% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.96% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.45% | 97.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.44% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.72% | 90.00% |
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.
| Chrozophora oblongifolia |
| Croton levatii |
| PubChem | 375033 |
| LOTUS | LTS0034559 |
| wikiData | Q105107207 |