3a,10a-Dihydroxy-5-(hydroxymethyl)-2,10-dimethyl-7-propan-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulene-3,8-dione
| Internal ID | 228bcfed-f8e9-455c-8b46-c52a37d84f20 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Rhamnofolane and daphnane diterpenoids |
| IUPAC Name | 3a,10a-dihydroxy-5-(hydroxymethyl)-2,10-dimethyl-7-propan-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulene-3,8-dione |
| SMILES (Canonical) | CC1CC(=O)C(C2C1(C3C=C(C(=O)C3(CC(=C2)CO)O)C)O)C(C)C |
| SMILES (Isomeric) | CC1CC(=O)C(C2C1(C3C=C(C(=O)C3(CC(=C2)CO)O)C)O)C(C)C |
| InChI | InChI=1S/C20H28O5/c1-10(2)17-14-7-13(9-21)8-19(24)16(5-11(3)18(19)23)20(14,25)12(4)6-15(17)22/h5,7,10,12,14,16-17,21,24-25H,6,8-9H2,1-4H3 |
| InChI Key | BGNXBPPAQJJLSA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O5 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of 3a,10a-Dihydroxy-5-(hydroxymethyl)-2,10-dimethyl-7-propan-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulene-3,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/29377520-8618-11ee-80bf-376530e26821.jpg "2D Structure of 3a,10a-Dihydroxy-5-(hydroxymethyl)-2,10-dimethyl-7-propan-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulene-3,8-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.09% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.67% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.35% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.76% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.47% | 95.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.07% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.30% | 97.79% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.11% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.46% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.29% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.99% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.52% | 94.75% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.07% | 94.00% |
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.
| Euphorbia fischeri |
| PubChem | 77916133 |
| LOTUS | LTS0146486 |
| wikiData | Q105277415 |