| CAS Number | 216450-65-6 |
| Catalog Number | AG00BFSB(AGN-PC-0QY7RO) |
| Chemical Name | Sophoflavescenol |
| IUPAC Name | 3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)chromen-4-one |
| InChI | InChI=1S/C21H20O6/c1-11(2)4-9-14-15(23)10-16(26-3)17-18(24)19(25)20(27-21(14)17)12-5-7-13(22)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3 |
| InChI Key | VMLJAWUWVVHRNG-UHFFFAOYSA-N |
| MDL Number | MFCD30534403 |
| Molecular Formula | C21H20O6 |
| Molecular Weight | 368.3799 |
| SMILES | C1(C2=CC=C(O)C=C2)OC2=C(C/C=C(/C)C)C(O)=CC(OC)=C2C(=O)C=1O |
| Synonyms | sophoflavescenol,
SOPHOFLAVESCENOL,
216450-65-6,
CHEMBL77651,
SCHEMBL14563970,
BCP24815,
HY-N2284,
ZINC4199939,
BDBM50116711,
LMPK12112538,
AKOS032945037,
CS-6033,
3,7-Dihydroxy-2-(4-hydroxy-phenyl)-5-methoxy-8-(3-methyl-but-2-enyl)-chromen-4-one,
3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-4H-chromen-4-one,
D00QCL,
ACN-047738,
CID9929189,
3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)chromen-4-one,
|
| Complexity | 612 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 368.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 368.385g/mol |
| Monoisotopic Mass | 368.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number