23-Hydroxytormenticacid
Internal ID | 35349931-d2fe-4839-b607-2e2f0438bd93 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | 1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
SMILES (Canonical) | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1(C)O)C)C(=O)O |
SMILES (Isomeric) | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1(C)O)C)C(=O)O |
InChI | InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35) |
InChI Key | YCOKATFNRPZIIU-UHFFFAOYSA-N |
Popularity | 4 references in papers |
Molecular Formula | C30H48O6 |
Molecular Weight | 504.70 g/mol |
Exact Mass | 504.34508925 g/mol |
Topological Polar Surface Area (TPSA) | 118.00 Ų |
XlogP | 4.30 |
1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
MEGxp0_000692 |
SCHEMBL17584882 |
PD197606 |
FT-0775810 |
(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
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 | 92.72% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.61% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.30% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.94% | 97.09% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.92% | 82.69% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.88% | 97.25% |
CHEMBL2581 | P07339 | Cathepsin D | 84.03% | 98.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.62% | 91.19% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.52% | 100.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.44% | 94.45% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.17% | 91.07% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.42% | 96.90% |
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.
PubChem | 14055735 |
LOTUS | LTS0156783 |
wikiData | Q105346393 |