10,12-Dihydroxy-2,4a,6a,6a,6b,8a,9,9-octamethyl-8-oxo-1,3,4,5,6,7,10,11,12,12a-decahydropicene-2-carboxylic acid
| Internal ID | 5fcfcf5c-16c0-4a8a-a312-ddde4399a251 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives |
| IUPAC Name | 10,12-dihydroxy-2,4a,6a,6a,6b,8a,9,9-octamethyl-8-oxo-1,3,4,5,6,7,10,11,12,12a-decahydropicene-2-carboxylic acid |
| SMILES (Canonical) | CC1(C(CC(C2C1(C(=O)CC3(C2(C=CC4=C5CC(CCC5(CCC43C)C)(C)C(=O)O)C)C)C)O)O)C |
| SMILES (Isomeric) | CC1(C(CC(C2C1(C(=O)CC3(C2(C=CC4=C5CC(CCC5(CCC43C)C)(C)C(=O)O)C)C)C)O)O)C |
| InChI | InChI=1S/C31H46O5/c1-25(2)21(33)15-20(32)23-29(6)10-9-18-19-16-27(4,24(35)36)12-11-26(19,3)13-14-28(18,5)30(29,7)17-22(34)31(23,25)8/h9-10,20-21,23,32-33H,11-17H2,1-8H3,(H,35,36) |
| InChI Key | FMVCCUIGNAPOOQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H46O5 |
| Molecular Weight | 498.70 g/mol |
| Exact Mass | 498.33452456 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 5.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.84% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.95% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.53% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.18% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.02% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.64% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.66% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.95% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.52% | 91.19% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.29% | 98.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.85% | 93.04% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.71% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.09% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.58% | 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.
| Glycyrrhiza triphylla |
| PubChem | 162862473 |
| LOTUS | LTS0108840 |
| wikiData | Q104998078 |