4,6a,6b,9,9,12a,14b-Heptamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-hexadecahydropicene-3,4-diol
| Internal ID | 8a433556-235f-4c0c-a399-7871d057e32e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | 4,6a,6b,9,9,12a,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-hexadecahydropicene-3,4-diol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC(C5(C)O)O)C)C)C)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC(C5(C)O)O)C)C)C)C)C |
| InChI | InChI=1S/C29H50O2/c1-24(2)14-8-15-25(3)19(24)11-17-27(5)20(25)9-10-21-26(4)16-13-23(30)29(7,31)22(26)12-18-28(21,27)6/h19-23,30-31H,8-18H2,1-7H3 |
| InChI Key | GZRWOTDTVHIODH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H50O2 |
| Molecular Weight | 430.70 g/mol |
| Exact Mass | 430.381080833 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 8.30 |
| 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 | 92.55% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.28% | 82.69% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.94% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.37% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.71% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.56% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.12% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.09% | 94.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.26% | 95.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.18% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.56% | 92.94% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.54% | 98.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.84% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.44% | 94.45% |
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.
| Adiantum monochlamys |
| PubChem | 73082459 |
| LOTUS | LTS0107300 |
| wikiData | Q105024553 |