5,10-dihydroxy-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Internal ID | 23b53460-d0a9-4aac-b9fa-ad6b15e98d7f |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
IUPAC Name | 5,10-dihydroxy-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one |
SMILES (Canonical) | CC(C)C1=C(C(=C2C(=C1)C(=O)C(C3C2(CCCC3(C)C)C)O)O)OC |
SMILES (Isomeric) | CC(C)C1=C(C(=C2C(=C1)C(=O)C(C3C2(CCCC3(C)C)C)O)O)OC |
InChI | InChI=1S/C21H30O4/c1-11(2)12-10-13-14(16(23)18(12)25-6)21(5)9-7-8-20(3,4)19(21)17(24)15(13)22/h10-11,17,19,23-24H,7-9H2,1-6H3 |
InChI Key | LSXXATUHWQXQII-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H30O4 |
Molecular Weight | 346.50 g/mol |
Exact Mass | 346.21440943 g/mol |
Topological Polar Surface Area (TPSA) | 66.80 Ų |
XlogP | 5.00 |
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 | 98.99% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 95.59% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.21% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.78% | 96.09% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.38% | 96.77% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.16% | 94.75% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.79% | 90.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.25% | 95.56% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.15% | 97.25% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.05% | 99.15% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.83% | 85.14% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.83% | 95.89% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.36% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.07% | 89.00% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.81% | 93.99% |
CHEMBL2535 | P11166 | Glucose transporter | 85.09% | 98.75% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.65% | 94.00% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.85% | 93.03% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.76% | 91.07% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.52% | 97.09% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.22% | 91.19% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.16% | 93.56% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.15% | 100.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.46% | 99.23% |
CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.05% | 95.56% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.50% | 92.62% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.46% | 82.69% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.40% | 96.21% |
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.
Cryptomeria japonica |
PubChem | 162846551 |
LOTUS | LTS0140169 |
wikiData | Q105156839 |