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Myxalamid C

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID df7e4a3b-1a97-4315-8e4d-b0c6cd7d81c0
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids
IUPAC Name (2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide
SMILES (Canonical) CCC=C(C)C(C(C)C=C(C)C=CC=CC=CC=C(C)C(=O)NC(C)CO)O
SMILES (Isomeric) CC/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C=C\C=C\C=C(/C)\C(=O)N[C@@H](C)CO)O
InChI InChI=1S/C24H37NO3/c1-7-13-19(3)23(27)21(5)16-18(2)14-11-9-8-10-12-15-20(4)24(28)25-22(6)17-26/h8-16,21-23,26-27H,7,17H2,1-6H3,(H,25,28)/b9-8-,12-10+,14-11+,18-16+,19-13+,20-15+/t21-,22+,23+/m1/s1
InChI Key QGJPEZISMDKYLK-HSSWLXNDSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C24H37NO3
Molecular Weight 387.60 g/mol
Exact Mass 387.27734404 g/mol
Topological Polar Surface Area (TPSA) 69.60 Ų
XlogP 5.20

Synonyms

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C12160
CHEBI:31874
DTXSID801102570
Q27114702
(2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(1S)-2-hydroxy-1-methyl-ethyl]-2,10,12,14-tetramethyl-heptadeca-2,4,6,8,10,14-hexaenamide
(2E,4E,6Z,8E,10E,12R,13R,14E)-13-Hydroxy-N-[(1S)-2-hydroxy-1-methylethyl]-2,10,12,14-tetramethyl-2,4,6,8,10,14-heptadecahexaenamide
(2E,4E,6Z,8E,10E,12R,13R,14E)-13-HYDROXY-N-[(2S)-1-HYDROXYPROPAN-2-YL]-2,10,12,14-TETRAMETHYLHEPTADECA-2,4,6,8,10,14-HEXAENAMIDE

2D Structure

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2D Structure of Myxalamid C

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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
CHEMBL2581 P07339 Cathepsin D 95.12% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.39% 96.09%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 88.70% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 87.16% 93.56%
CHEMBL3401 O75469 Pregnane X receptor 86.97% 94.73%
CHEMBL221 P23219 Cyclooxygenase-1 86.93% 90.17%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.83% 99.17%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 85.81% 98.75%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 85.34% 89.34%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.93% 94.45%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 84.71% 97.29%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 82.93% 97.21%
CHEMBL2885 P07451 Carbonic anhydrase III 82.52% 87.45%
CHEMBL3587 Q02750 Dual specificity mitogen-activated protein kinase kinase 1 82.22% 97.93%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 81.93% 96.47%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.90% 91.11%
CHEMBL340 P08684 Cytochrome P450 3A4 81.78% 91.19%
CHEMBL2964 P36507 Dual specificity mitogen-activated protein kinase kinase 2 80.97% 80.00%
CHEMBL2413 P32246 C-C chemokine receptor type 1 80.42% 89.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 11954001
LOTUS LTS0073844
wikiData Q27114702