12-(5,6-Dihydroxy-6-methylhept-3-en-2-yl)-4-hydroxy-1,4-dimethyl-6-oxotricyclo[9.3.0.03,7]tetradec-8-ene-8-carbaldehyde
| Internal ID | 0558534f-b13f-47d8-a029-1a7ad5fd318c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids > Ophiobolane sesterterpenoids |
| IUPAC Name | 12-(5,6-dihydroxy-6-methylhept-3-en-2-yl)-4-hydroxy-1,4-dimethyl-6-oxotricyclo[9.3.0.03,7]tetradec-8-ene-8-carbaldehyde |
| SMILES (Canonical) | CC(C=CC(C(C)(C)O)O)C1CCC2(C1CC=C(C3C(C2)C(CC3=O)(C)O)C=O)C |
| SMILES (Isomeric) | CC(C=CC(C(C)(C)O)O)C1CCC2(C1CC=C(C3C(C2)C(CC3=O)(C)O)C=O)C |
| InChI | InChI=1S/C25H38O5/c1-15(6-9-21(28)23(2,3)29)17-10-11-24(4)12-19-22(20(27)13-25(19,5)30)16(14-26)7-8-18(17)24/h6-7,9,14-15,17-19,21-22,28-30H,8,10-13H2,1-5H3 |
| InChI Key | ULZUWKJCVZFDGB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H38O5 |
| Molecular Weight | 418.60 g/mol |
| Exact Mass | 418.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 12-(5,6-Dihydroxy-6-methylhept-3-en-2-yl)-4-hydroxy-1,4-dimethyl-6-oxotricyclo[9.3.0.03,7]tetradec-8-ene-8-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/470dca70-8657-11ee-9624-6ba83cf6627e.jpg "2D Structure of 12-(5,6-Dihydroxy-6-methylhept-3-en-2-yl)-4-hydroxy-1,4-dimethyl-6-oxotricyclo[9.3.0.03,7]tetradec-8-ene-8-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.27% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.25% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.20% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.54% | 96.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.40% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.59% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.04% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.76% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.60% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.36% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.89% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.58% | 92.88% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.37% | 96.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.08% | 94.45% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.03% | 97.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.37% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.66% | 93.04% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.43% | 93.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.90% | 93.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.64% | 100.00% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 81.13% | 98.57% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.72% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.43% | 91.07% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.20% | 90.24% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.17% | 99.23% |
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.
| There are no matching plants. |
| PubChem | 162823013 |
| LOTUS | LTS0021547 |
| wikiData | Q104198361 |