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Agamanone

CAT: 0013-GTR19200563-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200563-01Size:25 mg
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Description
Agamanone is a small molecule with anticancer, antioxidant, and chemopreventive properties. It is utilized in research for studying cancer mechanisms and evaluating therapeutic efficacy in both cellular (in vitro) and animal (in vivo) experimental models.
CAS Number
143381-59-3
Smiles
OC1=C2C (O[C@@H] (CC2=O) C=3C=C4C (=C (OC) C3) OCO4) =CC (O) =C1OC
Molecular Formula
C18H16O8
Molecular Weight
360.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-, (S)-

4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-, (S)- has been reported in Agave americana with data available.

CAS Number143381-59-3
PubChem CID154496115
IUPAC Name(2S)-5,7-dihydroxy-6-methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one
Molecular FormulaC18H16O8
Molecular Weight360.3
XLogP2.5
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity527
SMILES
COC1=CC(=CC2=C1OCO2)[C@@H]3CC(=O)C4=C(O3)C=C(C(=C4O)OC)O
InChI
InChI=1S/C18H16O8/c1-22-13-3-8(4-14-18(13)25-7-24-14)11-5-9(19)15-12(26-11)6-10(20)17(23-2)16(15)21/h3-4,6,11,20-21H,5,7H2,1-2H3/t11-/m0/s1
InChIKey
OPMVFPLFBRWXER-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-, (S)-
CAS: 143381-59-3
CID: 154496115
Formula: C18H16O8
MW: 360.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.3
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass360.08451746
Monoisotopic Mass360.08451746
Topological Polar Surface Area104 Ų
Heavy Atom Count26
Formal Charge0
Complexity527
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5773429Agamanone

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