methyl (1S,6R,9S,12R,15S,18R,26S)-6,9,12,15,18,23,27,32-octamethyl-30-prop-1-en-2-yl-2,25-dioxaoctacyclo[24.5.3.01,26.03,24.05,22.06,19.09,18.010,15]tetratriaconta-3(24),4,20,22,32-pentaene-12-carboxylate
Internal ID | 8f304162-bf22-4935-b8ad-3bdf26542bb8 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
IUPAC Name | methyl (1S,6R,9S,12R,15S,18R,26S)-6,9,12,15,18,23,27,32-octamethyl-30-prop-1-en-2-yl-2,25-dioxaoctacyclo[24.5.3.01,26.03,24.05,22.06,19.09,18.010,15]tetratriaconta-3(24),4,20,22,32-pentaene-12-carboxylate |
SMILES (Canonical) | CC1CCC(CC23C1(CC=C2C)OC4=C(O3)C=C5C(=C4C)C=CC6C5(CCC7(C6(CCC8(C7CC(CC8)(C)C(=O)OC)C)C)C)C)C(=C)C |
SMILES (Isomeric) | CC1CCC(C[C@@]23[C@@]1(CC=C2C)OC4=C(O3)C=C5C(=C4C)C=CC6[C@]5(CC[C@@]7([C@@]6(CC[C@@]8(C7C[C@](CC8)(C)C(=O)OC)C)C)C)C)C(=C)C |
InChI | InChI=1S/C45H62O4/c1-27(2)31-13-12-28(3)44-17-16-29(4)45(44,25-31)48-34-24-33-32(30(5)37(34)49-44)14-15-35-41(33,8)21-23-43(10)36-26-40(7,38(46)47-11)19-18-39(36,6)20-22-42(35,43)9/h14-16,24,28,31,35-36H,1,12-13,17-23,25-26H2,2-11H3/t28?,31?,35?,36?,39-,40-,41+,42-,43+,44+,45+/m1/s1 |
InChI Key | GZUMIASHHVEXKZ-WESYEVCFSA-N |
Popularity | 0 references in papers |
Molecular Formula | C45H62O4 |
Molecular Weight | 667.00 g/mol |
Exact Mass | 666.46481045 g/mol |
Topological Polar Surface Area (TPSA) | 44.80 Ų |
XlogP | 12.10 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.58% | 91.11% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.87% | 92.94% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.84% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.66% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 90.12% | 98.95% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.73% | 91.07% |
CHEMBL4208 | P20618 | Proteasome component C5 | 89.59% | 90.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.89% | 96.95% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 88.78% | 89.05% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.56% | 94.80% |
CHEMBL240 | Q12809 | HERG | 87.50% | 89.76% |
CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 87.24% | 94.97% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.50% | 91.19% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.81% | 97.33% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.73% | 97.21% |
CHEMBL1871 | P10275 | Androgen Receptor | 85.68% | 96.43% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.67% | 100.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 84.06% | 91.49% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.39% | 99.23% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.11% | 95.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.08% | 94.00% |
CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.90% | 97.53% |
CHEMBL5028 | O14672 | ADAM10 | 81.82% | 97.50% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.74% | 96.38% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.14% | 86.33% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.13% | 97.09% |
CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.89% | 85.30% |
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.
Cheiloclinium hippocrateoides |
PubChem | 11193179 |
LOTUS | LTS0195479 |
wikiData | Q105024636 |