7-Hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
Internal ID | b2cb1915-cbb1-49ff-a8c8-6a02177f08e5 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
IUPAC Name | 7-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid |
SMILES (Canonical) | CC12CCCC(C1CC(=O)C3=CC(CCC23)(C(C)(C)O)O)(C)C(=O)O |
SMILES (Isomeric) | CC12CCCC(C1CC(=O)C3=CC(CCC23)(C(C)(C)O)O)(C)C(=O)O |
InChI | InChI=1S/C20H30O5/c1-17(2,24)20(25)9-6-13-12(11-20)14(21)10-15-18(13,3)7-5-8-19(15,4)16(22)23/h11,13,15,24-25H,5-10H2,1-4H3,(H,22,23) |
InChI Key | LJGDAAVEUMVPOP-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H30O5 |
Molecular Weight | 350.40 g/mol |
Exact Mass | 350.20932405 g/mol |
Topological Polar Surface Area (TPSA) | 94.80 Ų |
XlogP | 1.70 |
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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.35% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.62% | 91.11% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.91% | 82.69% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.98% | 83.82% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 90.82% | 93.04% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.98% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.72% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 89.07% | 98.95% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.30% | 97.05% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.84% | 96.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.74% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.14% | 99.23% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.10% | 97.09% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.50% | 93.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.51% | 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.
To see more specific details click the taxa you are interested in.
Pinus koraiensis |
PubChem | 162898978 |
LOTUS | LTS0223254 |
wikiData | Q105152561 |