1-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Internal ID | 43d1b45b-d248-4c4b-babc-3af55645a8dd |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
IUPAC Name | 1-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one |
SMILES (Canonical) | CC12CCCC(C1CC(=O)C3=C2C=CC(=C3)C(C)(C)O)(C)O |
SMILES (Isomeric) | CC12CCCC(C1CC(=O)C3=C2C=CC(=C3)C(C)(C)O)(C)O |
InChI | InChI=1S/C19H26O3/c1-17(2,21)12-6-7-14-13(10-12)15(20)11-16-18(14,3)8-5-9-19(16,4)22/h6-7,10,16,21-22H,5,8-9,11H2,1-4H3 |
InChI Key | SGCHZBKQDFNHSL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H26O3 |
Molecular Weight | 302.40 g/mol |
Exact Mass | 302.18819469 g/mol |
Topological Polar Surface Area (TPSA) | 57.50 Ų |
XlogP | 2.60 |
213329-46-5 |
![2D Structure of 1-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one 2D Structure of 1-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-hydroxy-7-2-hydroxypropan-2-yl-14a-dimethyl-341010a-tetrahydro-2h-phenanthren-9-one.jpg)
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 | 97.40% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 96.18% | 98.95% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.34% | 82.69% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.27% | 97.25% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.23% | 95.56% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 90.51% | 97.79% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.42% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 88.39% | 91.49% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.24% | 93.04% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.65% | 96.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.28% | 100.00% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.02% | 93.03% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.16% | 92.94% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.77% | 100.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.64% | 99.23% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.94% | 90.71% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.89% | 85.14% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.82% | 94.75% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.26% | 97.05% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.18% | 95.89% |
CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.31% | 98.00% |
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.
Larix kaempferi |
Picea morrisonicola |
Pinus yunnanensis |
PubChem | 78297552 |
LOTUS | LTS0171116 |
wikiData | Q105252227 |