(1S,4aS,10aR)-7-hydroxy-1,4a,6-trimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
| Internal ID | a7719bf2-b2dc-4c66-bd20-3cfa39e888c4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,4aS,10aR)-7-hydroxy-1,4a,6-trimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid |
| SMILES (Canonical) | CC1=CC2=C(CCC3C2(CCCC3(C)C(=O)O)C)C(=C1O)C(C)C |
| SMILES (Isomeric) | CC1=CC2=C(CC[C@@H]3[C@@]2(CCC[C@]3(C)C(=O)O)C)C(=C1O)C(C)C |
| InChI | InChI=1S/C21H30O3/c1-12(2)17-14-7-8-16-20(4,15(14)11-13(3)18(17)22)9-6-10-21(16,5)19(23)24/h11-12,16,22H,6-10H2,1-5H3,(H,23,24)/t16-,20-,21+/m1/s1 |
| InChI Key | VMWHHCFBLVWPGP-HBGVWJBISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H30O3 |
| Molecular Weight | 330.50 g/mol |
| Exact Mass | 330.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 5.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.79% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.75% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.66% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.02% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.54% | 93.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.85% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.76% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.32% | 96.09% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.71% | 95.34% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.50% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.77% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.07% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.89% | 89.00% |
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.
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| There are no matching plants. |
| PubChem | 162820564 |
| LOTUS | LTS0078831 |
| wikiData | Q105289342 |