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Home > Other Building Blocks > 259728-61-5
259728-61-5 | 1H-Phenalen-1-one, 3,4,7,9-tetrahydroxy-2-methoxy-6-methyl-
CAS No: 259728-61-5 Catalog No: AG002R88 MDL No:
Product Description
Catalog Number:
AG002R88
Chemical Name:
1H-Phenalen-1-one, 3,4,7,9-tetrahydroxy-2-methoxy-6-methyl-
CAS Number:
259728-61-5
Molecular Formula:
C15H12O6
Molecular Weight:
288.2522
IUPAC Name:
4,6,7,9-tetrahydroxy-8-methoxy-3-methylphenalen-1-one
InChI:
InChI=1S/C15H12O6/c1-5-3-6(16)10-12-9(5)7(17)4-8(18)11(12)14(20)15(21-2)13(10)19/h3-4,17-20H,1-2H3
InChI Key:
LHEJVMYQRYQFKB-UHFFFAOYSA-N
SMILES:
COC1=C(O)c2c(O)cc(c3c2c(C1=O)c(O)cc3O)C
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.063g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
288.255g/mol
Monoisotopic Mass:
288.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Fungal phenalenones inhibit HIV-1 integrase. | The Journal of antibiotics 20050101 |
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