Isochamaecydin
| Internal ID | ba964e70-c9dd-4494-9eed-6cc2d8480d0a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 1-hydroxy-7,7,10a-trimethyl-1',3-di(propan-2-yl)spiro[6a,8,9,10-tetrahydro-6H-acephenanthrylene-4,4'-bicyclo[3.1.0]hexane]-2,5-dione |
| SMILES (Canonical) | CC(C)C1=C2C3=C(CC4C(CCCC4(C3=C(C1=O)O)C)(C)C)C(=O)C25CCC6(C5C6)C(C)C |
| SMILES (Isomeric) | CC(C)C1=C2C3=C(CC4C(CCCC4(C3=C(C1=O)O)C)(C)C)C(=O)C25CCC6(C5C6)C(C)C |
| InChI | InChI=1S/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3 |
| InChI Key | CTGGVCKBMLNHNX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H40O3 |
| Molecular Weight | 448.60 g/mol |
| Exact Mass | 448.29774513 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 6.40 |
| CTGGVCKBMLNHNX-UHFFFAOYSA-N |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.76% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.76% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.82% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.48% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.28% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.64% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.75% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.93% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.53% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.33% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.04% | 90.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.11% | 82.69% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.30% | 93.40% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.11% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.62% | 89.00% |
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.
| Chamaecyparis obtusa |
| Cryptomeria japonica |
| PubChem | 635045 |
| LOTUS | LTS0153359 |
| wikiData | Q104969775 |