Methyl lucidenate D
| Internal ID | e18997b1-2679-4eb6-83fb-01ebf0a51c7f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | methyl (4R)-4-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| SMILES (Canonical) | CC(CCC(=O)OC)C1CC(=O)C2(C1(C(C(=O)C3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)OC(=O)C)C)C |
| SMILES (Isomeric) | C[C@H](CCC(=O)OC)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)OC(=O)C)C)C |
| InChI | InChI=1S/C30H40O8/c1-15(9-10-22(35)37-8)17-13-21(34)30(7)23-18(32)14-19-27(3,4)20(33)11-12-28(19,5)24(23)25(36)26(29(17,30)6)38-16(2)31/h15,17,19,26H,9-14H2,1-8H3/t15-,17-,19+,26-,28+,29+,30+/m1/s1 |
| InChI Key | JOFJXWXVPFAZPK-XULWGOJYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H40O8 |
| Molecular Weight | 528.60 g/mol |
| Exact Mass | 528.27231823 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 2.80 |
| 98665-09-9 |
| methyl (4R)-4-((5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta(a)phenanthren-17-yl)pentanoate |
| methyl (4R)-4-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| RefChem:157930 |
| Methyl lucidenate D |
| CHEMBL464338 |
| orb1680755 |
| AKOS040763077 |
| 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 | 98.56% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.36% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.59% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.21% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.30% | 97.79% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.00% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.51% | 85.14% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.32% | 98.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.85% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.96% | 82.69% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.88% | 92.62% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.57% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.26% | 99.23% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.16% | 83.82% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.07% | 94.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.59% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.76% | 97.50% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.34% | 97.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.32% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.23% | 91.07% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.35% | 89.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.07% | 95.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 21633083 |
| LOTUS | LTS0080286 |
| wikiData | Q105132316 |