Spathulasin
Internal ID | a3f4d5dc-6d1e-4892-bfc8-d772ddbbd35d |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
IUPAC Name | 3-[2-[5-[3,4-dihydroxy-5-(3-methylbut-2-enoyloxy)oxan-2-yl]oxy-3-methylpentyl]-1,3-dimethyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid |
SMILES (Canonical) | CC1=CCC(C(C1CCC(C)CCOC2C(C(C(CO2)OC(=O)C=C(C)C)O)O)(C)CCC(=O)O)C(=C)C |
SMILES (Isomeric) | CC1=CCC(C(C1CCC(C)CCOC2C(C(C(CO2)OC(=O)C=C(C)C)O)O)(C)CCC(=O)O)C(=C)C |
InChI | InChI=1S/C30H48O8/c1-18(2)16-26(33)38-24-17-37-29(28(35)27(24)34)36-15-13-20(5)8-10-23-21(6)9-11-22(19(3)4)30(23,7)14-12-25(31)32/h9,16,20,22-24,27-29,34-35H,3,8,10-15,17H2,1-2,4-7H3,(H,31,32) |
InChI Key | WUPPTYHXLNDHKU-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H48O8 |
Molecular Weight | 536.70 g/mol |
Exact Mass | 536.33491849 g/mol |
Topological Polar Surface Area (TPSA) | 123.00 Ų |
XlogP | 5.20 |
WUPPTYHXLNDHKU-UHFFFAOYSA-N |
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 |
---|---|---|---|---|
CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.44% | 83.82% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.65% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.20% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 97.81% | 98.95% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.57% | 90.17% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 94.31% | 96.47% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.64% | 96.09% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 91.49% | 94.62% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.47% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.42% | 94.73% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.72% | 96.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.30% | 90.71% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.76% | 89.00% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.72% | 93.56% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.06% | 94.08% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.09% | 95.56% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.87% | 95.89% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.03% | 86.33% |
CHEMBL5028 | O14672 | ADAM10 | 80.88% | 97.50% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.52% | 89.05% |
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.
Aeonium spathulatum |
PubChem | 611993 |
LOTUS | LTS0159765 |
wikiData | Q105313221 |