(6E)-2'-O-Methylmyxalamide D

Details

• Internal ID: e5d937dc-a08b-4de3-b327-7c5f7826e901
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids
• IUPAC Name: (2E,4E,6E,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide
• SMILES (Canonical): CC=C(C)C(C(C)C=C(C)C=CC=CC=CC=C(C)C(=O)NC(C)COC)O
• SMILES (Isomeric): C/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)COC)O
• InChI: InChI=1S/C24H37NO3/c1-8-19(3)23(26)21(5)16-18(2)14-12-10-9-11-13-15-20(4)24(27)25-22(6)17-28-7/h8-16,21-23,26H,17H2,1-7H3,(H,25,27)/b10-9+,13-11+,14-12+,18-16+,19-8+,20-15+/t21-,22+,23+/m1/s1
• InChI Key: LVYNFVWIKWLONP-VQSCWRMTSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₃₇NO₃
• Molecular Weight: 387.60 g/mol
• Exact Mass: 387.27734404 g/mol
• Topological Polar Surface Area (TPSA): 58.60 Ų
• XlogP: 5.30

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.55%	96.09%
CHEMBL2581	P07339	Cathepsin D	93.89%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	91.44%	85.14%
CHEMBL2885	P07451	Carbonic anhydrase III	91.20%	87.45%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	90.91%	97.21%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.52%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.95%	94.45%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.08%	99.17%
CHEMBL4040	P28482	MAP kinase ERK2	86.35%	83.82%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	84.67%	98.75%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	84.16%	100.00%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	81.80%	91.07%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.62%	96.95%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	81.57%	94.33%
CHEMBL3401	O75469	Pregnane X receptor	81.55%	94.73%
CHEMBL340	P08684	Cytochrome P450 3A4	81.45%	91.19%
CHEMBL2413	P32246	C-C chemokine receptor type 1	81.30%	89.50%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.27%	89.34%

Plants that contains it

• Leptopus chinensis
• Pachysandra terminalis

Cross-Links

• PubChem: 11474697
• LOTUS: LTS0176801
• wikiData: Q105191216