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Griseorhodin A

CAT: 0931-TN9916-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9916-01Size:10 mg
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CAS Number
11048-91-2
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Griseorhodin A is a quinone antibiotic with activity against Gram-positive bacteria.
Smiles
O[C@@H]1[C@@]2([C@@]3([C@@](O3)(C=4C(O2)=C(O)C5=C(C4)C=C(C)OC5=O)[H])[H])OC=6C1=C(O)C7=C(C6O)C(=O)C(OC)=CC7=O
Molecular Formula
C25H16O12
Molecular Weight
508.387
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Griseorhodin A

Griseorhodin A is a member of chromenes.

CAS Number11048-91-2
PubChem CID5282051
IUPAC Name2',3,4,9-tetrahydroxy-7-methoxy-6'-methylspiro[3H-benzo[f][1]benzofuran-2,14'-5,12,15-trioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,6,8-tetraene]-4',5,8-trione
Molecular FormulaC25H16O12
Molecular Weight508.4
XLogP2.4
Topological Polar Surface Area182
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count1
Heavy Atom Count37
Formal Charge0
Complexity1150
SMILES
CC1=CC2=CC3=C(C(=C2C(=O)O1)O)OC4(C5C3O5)C(C6=C(C7=C(C(=C6O4)O)C(=O)C(=CC7=O)OC)O)O
InChI
InChI=1S/C25H16O12/c1-6-3-7-4-8-19(17(29)11(7)24(32)34-6)36-25(23-20(8)35-23)22(31)14-16(28)12-9(26)5-10(33-2)15(27)13(12)18(30)21(14)37-25/h3-5,20,22-23,28-31H,1-2H3
InChIKey
MRNNMFMPNANLHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Griseorhodin A
CAS: 11048-91-2
CID: 5282051
Formula: C25H16O12
MW: 508.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.4
XLogP32.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count1
Exact Mass508.06417594
Monoisotopic Mass508.06417594
Topological Polar Surface Area182 Ų
Heavy Atom Count37
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N14681Griseorhodin A
GTR19255427-01Griseorhodin C
HY-N14832Griseorhodin G

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