Heudelotine
| Internal ID | 78a376bb-3d7d-46b1-937d-263f80157059 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | 14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,4,12,14-pentaen-6-one |
| SMILES (Canonical) | CC1=CC2=C(C=C3C=CC(=O)C(C3CC2)(C)C)C=C1O |
| SMILES (Isomeric) | CC1=CC2=C(C=C3C=CC(=O)C(C3CC2)(C)C)C=C1O |
| InChI | InChI=1S/C18H20O2/c1-11-8-12-4-6-15-13(9-14(12)10-16(11)19)5-7-17(20)18(15,2)3/h5,7-10,15,19H,4,6H2,1-3H3 |
| InChI Key | CGDLYSDMNSOBAM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20O2 |
| Molecular Weight | 268.30 g/mol |
| Exact Mass | 268.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 3.80 |
| (11aR)-1,10,11,11a-Tetrahydro-7-hydroxy-1,1,8-trimethyl-2H-dibenzo[a,d]cyclohepten-2-one |
| 14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.0?,?]pentadeca-1(15),2,4,11,13-pentaen-6-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.21% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.48% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.42% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.28% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.11% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.91% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.23% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.10% | 100.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.00% | 95.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.95% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.13% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.97% | 97.09% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.93% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.91% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.60% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.45% | 90.71% |
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.
| Jatropha curcas |
| Ricinodendron heudelotii |
| PubChem | 11265658 |
| LOTUS | LTS0107614 |
| wikiData | Q104957520 |