3,11,15,23-Tetraoxo-27xi-lanosta-8,16-dien-26-oic acid
| Internal ID | b2fed3b6-cc3d-4b84-9762-c622dc9fdd86 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (6R)-6-[(5R,7S,10S,13R,14R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12-hexahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| SMILES (Canonical) | CC(CC(=O)CC(C)C(=O)O)C1=CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C |
| SMILES (Isomeric) | C[C@H](CC(=O)CC(C)C(=O)O)C1=CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)O)C)C |
| InChI | InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h12,15-16,19,21,32H,8-11,13-14H2,1-7H3,(H,36,37)/t15-,16?,19+,21+,28+,29-,30+/m1/s1 |
| InChI Key | YBFMHFRKIFVPJA-LRGPFVJBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H40O7 |
| Molecular Weight | 512.60 g/mol |
| Exact Mass | 512.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 1.50 |
| 3,11,15,23-Tetraoxo-27|I-lanosta-8,16-dien-26-oic acid |
| HY-N9327 |
| BDBM50428359 |
| AKOS040756789 |
| CS-0159468 |
| 3,11,15,23-Tetraoxo-27??-lanosta-8,16-dien-26-oic acid |
| 3,11,15,23-tetraoxo-27xi-lanosta-8,16-dien- 26-oic acid |
| 3,11,15,23-Tetraoxo-27xi-lanosta-8,16-dien-26-oic acid |
| 1427189-02-3 |
| 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 | 98.36% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.33% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.10% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.16% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.52% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.44% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.28% | 99.23% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.53% | 96.38% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.95% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.55% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.10% | 97.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.09% | 85.30% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.79% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.74% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.39% | 90.71% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.11% | 83.82% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.76% | 93.04% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.69% | 91.19% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 80.85% | 92.26% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 80.84% | 95.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.13% | 95.17% |
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 | 71664793 |
| LOTUS | LTS0077288 |
| wikiData | Q77503666 |