4-(4-hydroxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-ol
| Internal ID | fe5739dc-d268-42b0-9d3a-3f7e0366a653 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | 4-(4-hydroxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-ol |
| SMILES (Canonical) | CC1=CCCC(=C)C2C(CC1)C(=CC=CC(C)(C)O)COC2O |
| SMILES (Isomeric) | CC1=CCCC(=C)C2C(CC1)C(=CC=CC(C)(C)O)COC2O |
| InChI | InChI=1S/C20H30O3/c1-14-7-5-8-15(2)18-17(11-10-14)16(13-23-19(18)21)9-6-12-20(3,4)22/h6-7,9,12,17-19,21-22H,2,5,8,10-11,13H2,1,3-4H3 |
| InChI Key | GVOYGZRFVYIDGT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 4-(4-hydroxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2e34af70-8637-11ee-9913-994397ba5972.jpg "2D Structure of 4-(4-hydroxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-ol")
| 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 | 95.35% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.74% | 97.25% |
| CHEMBL240 | Q12809 | HERG | 92.60% | 89.76% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 90.52% | 99.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.52% | 95.56% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 88.89% | 90.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.33% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.80% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.73% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.61% | 94.73% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.49% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.69% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.11% | 98.95% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.42% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 73837391 |
| LOTUS | LTS0201282 |
| wikiData | Q105021504 |