3a,5,7b-Trimethyl-4-(3-methylidenepent-4-enyl)-1,1a,2,3,4,6,7,7a-octahydrocyclopropa[a]naphthalen-5-ol
Internal ID | 783f4dbb-bcbe-4da6-9f52-a9d7a5f64613 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
IUPAC Name | 3a,5,7b-trimethyl-4-(3-methylidenepent-4-enyl)-1,1a,2,3,4,6,7,7a-octahydrocyclopropa[a]naphthalen-5-ol |
SMILES (Canonical) | CC12CCC3CC3(C1CCC(C2CCC(=C)C=C)(C)O)C |
SMILES (Isomeric) | CC12CCC3CC3(C1CCC(C2CCC(=C)C=C)(C)O)C |
InChI | InChI=1S/C20H32O/c1-6-14(2)7-8-17-18(3)11-9-15-13-19(15,4)16(18)10-12-20(17,5)21/h6,15-17,21H,1-2,7-13H2,3-5H3 |
InChI Key | PUBHNPJYQNZRJD-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H32O |
Molecular Weight | 288.50 g/mol |
Exact Mass | 288.245315640 g/mol |
Topological Polar Surface Area (TPSA) | 20.20 Ų |
XlogP | 6.00 |
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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.51% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.59% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.53% | 91.11% |
CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 92.23% | 97.34% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.31% | 82.69% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.52% | 100.00% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.01% | 90.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.98% | 94.45% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.92% | 95.50% |
CHEMBL206 | P03372 | Estrogen receptor alpha | 83.78% | 97.64% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 82.97% | 95.93% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.88% | 94.75% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.77% | 100.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 81.57% | 91.49% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.51% | 92.94% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.45% | 95.89% |
CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 81.12% | 97.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.98% | 97.09% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.11% | 83.82% |
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.
Helichrysum nudifolium |
PubChem | 162904919 |
LOTUS | LTS0158053 |
wikiData | Q105215010 |