3b,6-Dihydroxy-3a,5,5-trimethyl-3-methylidene-4,6-dihydrocyclopenta[a]pentalen-2-one
| Internal ID | aa463e4c-137a-4928-bb0f-71cb31c88569 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Triquinane sesquiterpenoids > Linear triquinanes |
| IUPAC Name | 3b,6-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,6-dihydrocyclopenta[a]pentalen-2-one |
| SMILES (Canonical) | CC1(CC2(C(=CC3=CC(=O)C(=C)C32C)C1O)O)C |
| SMILES (Isomeric) | CC1(CC2(C(=CC3=CC(=O)C(=C)C32C)C1O)O)C |
| InChI | InChI=1S/C15H18O3/c1-8-11(16)6-9-5-10-12(17)13(2,3)7-15(10,18)14(8,9)4/h5-6,12,17-18H,1,7H2,2-4H3 |
| InChI Key | INXSHIYPCYEVGP-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.30 g/mol |
| Exact Mass | 246.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of 3b,6-Dihydroxy-3a,5,5-trimethyl-3-methylidene-4,6-dihydrocyclopenta[a]pentalen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3b6-dihydroxy-3a55-trimethyl-3-methylidene-46-dihydrocyclopentaapentalen-2-one.jpg "2D Structure of 3b,6-Dihydroxy-3a,5,5-trimethyl-3-methylidene-4,6-dihydrocyclopenta[a]pentalen-2-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 | 95.11% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.80% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.16% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.82% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.54% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.38% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.58% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.54% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.65% | 94.75% |
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.
| Carthamus tinctorius |
| PubChem | 78201177 |
| LOTUS | LTS0139559 |
| wikiData | Q105013688 |