Skeletocutin G

Details

• Internal ID: fc5f389e-84e4-4214-a77c-6394675f6e35
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives
• IUPAC Name: (E)-3-methoxycarbonyl-2-[14-(4-methyl-2,5-dioxofuran-3-yl)tetradecyl]pent-2-enedioic acid
• SMILES (Canonical): CC1=C(C(=O)OC1=O)CCCCCCCCCCCCCCC(=C(CC(=O)O)C(=O)OC)C(=O)O
• SMILES (Isomeric): CC1=C(C(=O)OC1=O)CCCCCCCCCCCCCC/C(=C(/CC(=O)O)\C(=O)OC)/C(=O)O
• InChI: InChI=1S/C26H38O9/c1-18-19(26(33)35-24(18)31)15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(23(29)30)21(17-22(27)28)25(32)34-2/h3-17H2,1-2H3,(H,27,28)(H,29,30)/b21-20+
• InChI Key: FZEVWMGPRUZKFP-QZQOTICOSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₃₈O₉
• Molecular Weight: 494.60 g/mol
• Exact Mass: 494.25158279 g/mol
• Topological Polar Surface Area (TPSA): 144.00 Ų
• XlogP: 6.40

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.93%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.34%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	95.13%	99.17%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	91.35%	99.23%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.39%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	88.79%	94.73%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	86.98%	95.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.84%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.84%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.62%	85.14%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146682759
• LOTUS: LTS0135053
• wikiData: Q105004897