6,7-Dihydroxy-1,2,4a-trimethyl-3,4,10,10a-tetrahydrophenanthren-9-one
| Internal ID | c4db86ac-d693-4938-bf56-b2d204d388b7 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes |
| IUPAC Name | 6,7-dihydroxy-1,2,4a-trimethyl-3,4,10,10a-tetrahydrophenanthren-9-one |
| SMILES (Canonical) | CC1=C(C2CC(=O)C3=CC(=C(C=C3C2(CC1)C)O)O)C |
| SMILES (Isomeric) | CC1=C(C2CC(=O)C3=CC(=C(C=C3C2(CC1)C)O)O)C |
| InChI | InChI=1S/C17H20O3/c1-9-4-5-17(3)12(10(9)2)7-14(18)11-6-15(19)16(20)8-13(11)17/h6,8,12,19-20H,4-5,7H2,1-3H3 |
| InChI Key | OAGDPGIQCLITJR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H20O3 |
| Molecular Weight | 272.34 g/mol |
| Exact Mass | 272.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
| 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 | 97.82% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.38% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.01% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.01% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.69% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.86% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.18% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.58% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.47% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.36% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.14% | 86.33% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.77% | 85.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.66% | 94.75% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.33% | 85.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.12% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.81% | 90.71% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.52% | 97.93% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.03% | 95.38% |
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.
| Celastrus hypoleucus |
| PubChem | 73150595 |
| LOTUS | LTS0136150 |
| wikiData | Q105188652 |