(1S,9R,12R)-4-hydroxy-1,11,11-trimethyl-8,10-dioxo-5-propan-2-yltricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carbaldehyde
| Internal ID | e5a2f470-03dc-4c0b-9430-91fbb815de30 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | (1S,9R,12R)-4-hydroxy-1,11,11-trimethyl-8,10-dioxo-5-propan-2-yltricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carbaldehyde |
| SMILES (Canonical) | CC(C)C1=C(C=C2C(=C1)C(=O)C3CC2(C(C(C3=O)(C)C)C=O)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C=C2C(=C1)C(=O)[C@@H]3C[C@]2([C@H](C(C3=O)(C)C)C=O)C)O |
| InChI | InChI=1S/C20H24O4/c1-10(2)11-6-12-14(7-15(11)22)20(5)8-13(17(12)23)18(24)19(3,4)16(20)9-21/h6-7,9-10,13,16,22H,8H2,1-5H3/t13-,16-,20+/m0/s1 |
| InChI Key | DLYLYXIDKXMSDL-ZSOFBXJNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O4 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of (1S,9R,12R)-4-hydroxy-1,11,11-trimethyl-8,10-dioxo-5-propan-2-yltricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/1d6f92f0-8637-11ee-bf0d-f538f544cc5f.jpg "2D Structure of (1S,9R,12R)-4-hydroxy-1,11,11-trimethyl-8,10-dioxo-5-propan-2-yltricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carbaldehyde")
| 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 | 98.60% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.58% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.58% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.85% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.66% | 99.15% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.61% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.40% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.59% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.56% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.34% | 94.75% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 84.97% | 83.57% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.78% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.54% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.25% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.84% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.44% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.11% | 97.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.94% | 85.30% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.66% | 98.75% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.28% | 85.11% |
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 |
| PubChem | 11209648 |
| LOTUS | LTS0072329 |
| wikiData | Q104984872 |