5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12-dodecahydro-1H-cyclopenta[a]chrysene-4,9-diol
Internal ID | 159befd5-f894-476e-a3fa-ed0bab83901f |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | 5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12-dodecahydro-1H-cyclopenta[a]chrysene-4,9-diol |
SMILES (Canonical) | CC(C)C1CCC2=C1C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C |
SMILES (Isomeric) | CC(C)C1CCC2=C1C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C |
InChI | InChI=1S/C29H46O2/c1-17(2)18-8-9-19-21(30)16-29(7)20(25(18)19)10-11-23-27(5)14-13-24(31)26(3,4)22(27)12-15-28(23,29)6/h10,17-18,21-24,30-31H,8-9,11-16H2,1-7H3 |
InChI Key | RCQKIAQMJAWKQW-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H46O2 |
Molecular Weight | 426.70 g/mol |
Exact Mass | 426.349780706 g/mol |
Topological Polar Surface Area (TPSA) | 40.50 Ų |
XlogP | 6.10 |
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 |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.33% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.79% | 91.11% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.70% | 90.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.25% | 96.09% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.77% | 82.69% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.52% | 95.89% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.09% | 100.00% |
CHEMBL2581 | P07339 | Cathepsin D | 87.58% | 98.95% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.05% | 91.03% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 85.36% | 95.93% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.78% | 90.71% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.33% | 97.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.76% | 97.25% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.56% | 94.75% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.99% | 93.56% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.52% | 100.00% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.28% | 93.03% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.25% | 96.38% |
CHEMBL1871 | P10275 | Androgen Receptor | 81.17% | 96.43% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.85% | 95.56% |
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.
Koelpinia linearis |
PubChem | 163071851 |
LOTUS | LTS0207711 |
wikiData | Q105233872 |