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76191-51-0 | 8-HYDROXY-1-METHOXY-3-METHYL-5H-BENZO[D]NAPHTHO[2,3-B]PYRAN- 5,7,12-TRIONE
CAS No: 76191-51-0 Catalog No: AG0057MM MDL No:
Product Description
Catalog Number:
AG0057MM
Chemical Name:
8-HYDROXY-1-METHOXY-3-METHYL-5H-BENZO[D]NAPHTHO[2,3-B]PYRAN- 5,7,12-TRIONE
CAS Number:
76191-51-0
Molecular Formula:
C19H12O6
Molecular Weight:
336.2950
IUPAC Name:
8-hydroxy-1-methoxy-3-methylnaphtho[3,2-c]isochromene-5,7,12-trione
InChI:
InChI=1S/C19H12O6/c1-8-6-10-14(12(7-8)24-2)15-16(21)9-4-3-5-11(20)13(9)17(22)18(15)25-19(10)23/h3-7,20H,1-2H3
InChI Key:
LUXDHHSVJLVLPS-UHFFFAOYSA-N
SMILES:
COc1cc(C)cc2c1c1C(=O)c3cccc(c3C(=O)c1oc2=O)O
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.063g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.299g/mol
Monoisotopic Mass:
336.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| A brief and convergent synthetic route to defucogilvocarcin M chromophore: the formal synthesis of WS-5995 A and C. | The Journal of organic chemistry 20051028 |
| Quinone isomers of the WS-5995 antibiotics: synthetic antitumor agents that inhibit macromolecule synthesis, block nucleoside transport, induce DNA fragmentation, and decrease the growth and viability of L1210 leukemic cells more effectively than ellagic acid and genistein in vitro. | Anti-cancer drugs 20010601 |
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