Psoralidin

Psoralidin

Phân loại: Reagent

Tính chất: EP

Thương hiệu: Angene

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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)-,

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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