Skeletocutin J

Details

• Internal ID: d8b8e1a1-3969-4fa3-8ccd-e3ae6b935a56
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives
• IUPAC Name: (2Z)-2-[15-(4-methyl-2,5-dioxofuran-3-yl)pentadecylidene]butanedioic acid
• SMILES (Canonical): CC1=C(C(=O)OC1=O)CCCCCCCCCCCCCCC=C(CC(=O)O)C(=O)O
• SMILES (Isomeric): CC1=C(C(=O)OC1=O)CCCCCCCCCCCCCC/C=C(/CC(=O)O)\C(=O)O
• InChI: InChI=1S/C24H36O7/c1-18-20(24(30)31-23(18)29)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19(22(27)28)17-21(25)26/h15H,2-14,16-17H2,1H3,(H,25,26)(H,27,28)/b19-15-
• InChI Key: VTPJBWPMSYXMNB-CYVLTUHYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₃₆O₇
• Molecular Weight: 436.50 g/mol
• Exact Mass: 436.24610348 g/mol
• Topological Polar Surface Area (TPSA): 118.00 Ų
• XlogP: 6.80

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
CHEMBL2581	P07339	Cathepsin D	95.60%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.95%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.51%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.98%	95.56%
CHEMBL221	P23219	Cyclooxygenase-1	87.40%	90.17%
CHEMBL3401	O75469	Pregnane X receptor	87.17%	94.73%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.40%	99.23%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	84.35%	83.57%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	82.33%	96.47%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.23%	86.33%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.56%	89.34%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146682751
• LOTUS: LTS0075629
• wikiData: Q105292917