Myceliothermophin C
| Internal ID | 7fbf429a-7108-4e92-a8ba-2086e9685ee9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (5R)-3-[(1R,2S,4aS,6S,8aR)-2-[(E)-but-2-en-2-yl]-3,4a,6-trimethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-5-methoxy-5-(2-methylpropyl)-1H-pyrrol-2-one |
| SMILES (Canonical) | CC=C(C)C1C(C2CCC(CC2(C=C1C)C)C)C(=O)C3=CC(NC3=O)(CC(C)C)OC |
| SMILES (Isomeric) | C/C=C(\C)/[C@@H]1[C@@H]([C@H]2CC[C@@H](C[C@@]2(C=C1C)C)C)C(=O)C3=C[C@@](NC3=O)(CC(C)C)OC |
| InChI | InChI=1S/C27H41NO3/c1-9-18(5)22-19(6)14-26(7)13-17(4)10-11-21(26)23(22)24(29)20-15-27(31-8,12-16(2)3)28-25(20)30/h9,14-17,21-23H,10-13H2,1-8H3,(H,28,30)/b18-9+/t17-,21+,22-,23+,26+,27+/m0/s1 |
| InChI Key | XLZMSDIJSDSYBH-UXVXRRHISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H41NO3 |
| Molecular Weight | 427.60 g/mol |
| Exact Mass | 427.30864417 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 6.30 |
| (5R)-3-[(1R,2S,4aS,6S,8aR)-2-[(E)-but-2-en-2-yl]-3,4a,6-trimethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-5-methoxy-5-(2-methylpropyl)-1H-pyrrol-2-one |
| 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 | 98.03% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.70% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.77% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.81% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.61% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.20% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.22% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.75% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.17% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.48% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.15% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.40% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.09% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.86% | 90.08% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.39% | 83.10% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.83% | 91.03% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.47% | 91.24% |
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 | 23629451 |
| LOTUS | LTS0105760 |
| wikiData | Q75059592 |