Isofurospongin-4

Details

• Internal ID: d68ab34e-d032-41a6-948f-10d7a8ed0229
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• IUPAC Name: (2E,6Z,10E,14E)-17-(furan-3-yl)-6-methoxycarbonyl-2,10,14-trimethylheptadeca-2,6,10,14-tetraenoic acid
• InChI: InChI=1S/C26H36O5/c1-20(11-6-14-23-17-18-31-19-23)9-5-10-21(2)12-7-15-24(26(29)30-4)16-8-13-22(3)25(27)28/h10-11,13,15,17-19H,5-9,12,14,16H2,1-4H3,(H,27,28)/b20-11+,21-10+,22-13+,24-15-
• InChI Key: OAOUOCLVLBNQNV-STZPRAENSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₃₆O₅
• Molecular Weight: 428.60 g/mol
• Exact Mass: 428.25627424 g/mol
• Topological Polar Surface Area (TPSA): 76.70 Ų
• XlogP: 6.50

Synonyms

• Isofurospongin 4
• CHEMBL1802161
• CHEBI:67722
• Q27136195

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	96.19%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.50%	94.45%
CHEMBL3401	O75469	Pregnane X receptor	94.18%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.70%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.48%	96.09%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	89.11%	92.08%
CHEMBL2581	P07339	Cathepsin D	88.37%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.82%	86.33%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	84.46%	93.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.18%	96.00%
CHEMBL2039	P27338	Monoamine oxidase B	81.89%	92.51%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 53355899
• LOTUS: LTS0027677
• wikiData: Q27136195