YM 26734
Basic information
- CAS
144337-18-8- Standard SMILES
CCCCCCCCCCCC(=O)c1c(O)c(C(=O)CCCCCCCCCCC)c(O)c(C2CC(c3ccc(O)cc3)Oc3cc(O)ccc32)c1O- InChIKey
CEJAYJCUSZHYDS-UHFFFAOYSA-N- Molecular formula
- C45H62O8
- Average molar mass
- 731 g/mol
- Monoisotopic mass
- 730.44446893
Overview
inhibits group II phospholipase A2; structure given in first source
Names & identifiers
- Preferred name
- YM 26734
- IUPAC
- 1-[3-dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one
- English name
- YM 26734
- Molecular formula
- C45H62O8
- Molecular weight
- 730.97
Names & synonyms
144337-18-8YM-26734YM 26734D27Z1V25BZ1-Dodecanone, 1,1'-[5-[3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxy-1,3-phenylene]bis-1-Dodecanone, 1,1'-(5-(3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl)-2,4,6-trihydroxy-1,3-phenylene)bis-RefChem:1956734-(3,5-Didodecanoyl-2,4,6-trihydroxyphenyl)-7-hydroxy-2-(4-hydroxyphenyl)chromanCHEMBL4444501-[3-dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one1,1'-[5-[3,4-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxy-1,3-phenylene]bis-1-dodecanoneC45H62O8
Show more names
1-{3-dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]phenyl}dodecan-1-one
YM26734UNII-D27Z1V25BZ1,1'-(5-(3,4-DIHYDRO-7-HYDROXY-2-(4-HYDROXYPHENYL)-2H-1-BENZOPYRAN-4-YL)-2,4,6-TRIHYDROXY-1,3-PHENYLENE)BIS(1-DODECANONE)1,1'-[5-[3,4-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxy-1,3-phenylene]bis[1-dodecanone]MFCD00918068orb1703904SCHEMBL25736021SCHEMBL29422546
Properties
Computed structural properties
- XLogP
- 14.3
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 24
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 980
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 100 mM · Soluble to 100 mM in DMSO and to 100 mM in ethanol
- form
- Powder
- color
- white to beige
- InChIKey
- CEJAYJCUSZHYDS-UHFFFAOYSA-N
- SMILES
- OC1=C(C2CC(C3=CC=C(O)C=C3)OC4=C2C=CC(O)=C4)C(O)=C(C(CCCCCCCCCCC)=O)C(O)=C1C(CCCCCCCCCCC)=O
- FDA UNII
- 27 Z1V25BZ · D27Z1V25BZ
- UNSPSC Code
- 41106300 · 41106300
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesYM-26734 is a derivative of a compound isolated from the fruit of H. amygdaline that competitively inhibits rabbit platelet sPLA2 which is a diverse family of low molecular weight PLA2s with tissue-specific expression patterns and actions.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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