Klymollin F
| Internal ID | 4c1cdd28-1faf-42d5-bd48-c9afdf9f23bc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Cladiellane diterpenoids |
| IUPAC Name | [(1R,2R,3R,4S,5S,6S,7S,8R,10S,11S,14R)-4,5,14-triacetyloxy-10-hydroxy-10,14-dimethyl-3-propan-2-ylspiro[15-oxatricyclo[6.6.1.02,7]pentadecane-6,2'-oxirane]-11-yl] tetradecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H66O11/c1-9-10-11-12-13-14-15-16-17-18-19-20-31(44)50-30-21-22-39(8,51-28(6)43)36-33-32(25(2)3)35(47-26(4)41)37(48-27(5)42)40(24-46-40)34(33)29(49-36)23-38(30,7)45/h25,29-30,32-37,45H,9-24H2,1-8H3/t29-,30+,32-,33-,34-,35+,36-,37+,38+,39-,40-/m1/s1 |
| InChI Key | QFRHIDBSBWFQMK-LGGODAECSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C40H66O11 |
| Molecular Weight | 722.90 g/mol |
| Exact Mass | 722.46051292 g/mol |
| Topological Polar Surface Area (TPSA) | 147.00 Ų |
| XlogP | 8.00 |
| CHEBI:68956 |
| Rel-Klymollin F |
| CHEMBL1923040 |
| Q27137306 |
| rel-(1S,2S,3S,4R,4aR,5R,6R,9S,10S,12R,12aS)-2,3,6-tris(acetyloxy)-10-hydroxy-6,10-dimethyl-4-(propan-2-yl)dodecahydro-2H-spiro[5,12-epoxybenzo[10]annulene-1,2'-oxiran]-9-yl tetradecanoate |
| 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 | 99.02% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.76% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 97.63% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.10% | 94.45% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 96.90% | 98.03% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.17% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.87% | 92.86% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 95.45% | 82.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 95.45% | 92.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.37% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.00% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 92.49% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.39% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.78% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.60% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.17% | 89.63% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.08% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.80% | 89.05% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.50% | 96.47% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.24% | 91.24% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.99% | 85.94% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.59% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.77% | 82.69% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.66% | 94.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.35% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.24% | 97.09% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.20% | 97.47% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.18% | 96.77% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 85.16% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.09% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.46% | 99.23% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.08% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.02% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.35% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.71% | 95.89% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.86% | 95.17% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.61% | 95.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.22% | 93.56% |
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.
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| There are no matching plants. |
| PubChem | 56655568 |
| LOTUS | LTS0125932 |
| wikiData | Q27137306 |