7-hydroxy-1-(2-hydroxypropan-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
Internal ID | f43d52a1-f375-4801-bf15-19e6c5940970 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | 7-hydroxy-1-(2-hydroxypropan-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one |
SMILES (Canonical) | CC1(C2C(CC3(C(C2(CCC1=O)C)CCC4C3(CCC5(C4C(CC5)C(C)(C)O)C)C)C)O)C |
SMILES (Isomeric) | CC1(C2C(CC3(C(C2(CCC1=O)C)CCC4C3(CCC5(C4C(CC5)C(C)(C)O)C)C)C)O)C |
InChI | InChI=1S/C30H50O3/c1-25(2)22(32)12-14-28(6)21-10-9-19-23-18(26(3,4)33)11-13-27(23,5)15-16-29(19,7)30(21,8)17-20(31)24(25)28/h18-21,23-24,31,33H,9-17H2,1-8H3 |
InChI Key | NUDALCNACCYYLC-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H50O3 |
Molecular Weight | 458.70 g/mol |
Exact Mass | 458.37599545 g/mol |
Topological Polar Surface Area (TPSA) | 57.50 Ų |
XlogP | 6.70 |
There are no found synonyms. |
![2D Structure of 7-hydroxy-1-(2-hydroxypropan-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one 2D Structure of 7-hydroxy-1-(2-hydroxypropan-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/a462b140-8600-11ee-b134-270b102babab.jpg)
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 | 97.20% | 97.25% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.92% | 94.45% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.19% | 94.75% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.54% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 91.48% | 98.95% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.07% | 82.69% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.29% | 97.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.06% | 100.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.56% | 92.94% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.52% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.31% | 95.56% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.00% | 93.04% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.84% | 96.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.49% | 95.89% |
CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.76% | 90.93% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.75% | 97.33% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.53% | 95.38% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.48% | 94.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.14% | 99.23% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.07% | 86.33% |
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.
Pleurostylia opposita |
PubChem | 73821093 |
LOTUS | LTS0215014 |
wikiData | Q105185815 |