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124190-19-8 | 1H-Phenalene-1,3(2H)-dione, 2,4,9-trihydroxy-6-methoxy-7-methyl-2-(2-oxopropyl)-, (-)-
CAS No: 124190-19-8 Catalog No: AG000LNS MDL No:
Product Description
Catalog Number:
AG000LNS
Chemical Name:
1H-Phenalene-1,3(2H)-dione, 2,4,9-trihydroxy-6-methoxy-7-methyl-2-(2-oxopropyl)-, (-)-
CAS Number:
124190-19-8
Molecular Formula:
C18H16O7
Molecular Weight:
344.3154
IUPAC Name:
2,4,9-trihydroxy-6-methoxy-7-methyl-2-(2-oxopropyl)phenalene-1,3-dione
InChI:
InChI=1S/C18H16O7/c1-7-4-9(20)13-15-12(7)11(25-3)5-10(21)14(15)17(23)18(24,16(13)22)6-8(2)19/h4-5,20-21,24H,6H2,1-3H3
InChI Key:
LJOMNUOFKLTARM-UHFFFAOYSA-N
SMILES:
COc1cc(O)c2c3c1c(C)cc(c3C(=O)C(C2=O)(O)CC(=O)C)O
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.09g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
344.319g/mol
Monoisotopic Mass:
344.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| A new immunomodulator, FR-901235. | The Journal of antibiotics 19890901 |
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