English
Psoralidin
Phân loại: Reagent
Tính chất: EP
Thương hiệu: Angene
| CAS Number | 18642-23-4 |
| Catalog Number | AG0075OG(AGN-PC-0LPKH4) |
| Chemical Name | Psoralidin |
| IUPAC Name | 3,9-dihydroxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one |
| InChI | InChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3 |
| InChI Key | YABIJLLNNFURIJ-UHFFFAOYSA-N |
| MDL Number | MFCD10566617 |
| Molecular Formula | C20H16O5 |
| Molecular Weight | 336.3380 |
| SMILES | CC(=CCc1cc2c(cc1O)oc(=O)c1c2oc2c1ccc(c2)O)C |
| UNII | G16ZUQ069L |
| Synonyms |
3,9-Dihydroxy-2-prenylcoumestan, psoralidin, Psoralidin, 18642-23-4, 3,9-Dihydroxy-2-prenylcoumestan, UNII-G16ZUQ069L, G16ZUQ069L, 3,9-Dihydroxy-2-(3-methyl-2-butenyl)-6H-benzofuro(3,2-c)(1)benzopyran-6-one, Q-100223, 3,9-dihydroxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one, Psoralidin (5), AC1NQZ4K, CHEBI:8616, SCHEMBL3239072, CHEMBL4064323, CTK0H8365, KS-00001FHL, DTXSID20171903, BDBM246524, ZINC899902, HY-N0232, LMPK12090007, MFCD10566617, AKOS026674261, CS-3757, 4CN-1277, AS-18741, FT-0688287, P2605, X1215, C10523, 3,9-dihydroxy-2-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c][1]benzopyran-6-one, 3,9-Dihydroxy-2-(3-methylbut-2-en-1-yl)-6H-benzofuro[3,2-c]chromen-6-one, 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihydroxy-2-(3-methyl-2-butenyl)-, C20H16O5, ACN-047102, C20-H16-O5, CID5281806, 6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-2-(3-methyl-2-butenyl)-, |
CHI TIẾT :
| Complexity | 554 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.343g/mol |
| Monoisotopic Mass | 336.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
| Hazard statements | H302-H315-H319-H335 |
| Precuationary statements | P261-P305+P351+P338 |
| Siginal words |