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Brazilein

CAT: 0931-T75502-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T75502-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
600-76-0
Target
PPAR, Apoptosis, Caspase
Related Pathways
Proteases/Proteasome, Apoptosis, DNA Damage/DNA Repair, Metabolism
Bioactivity
Brazilein, a natural anti-inflammatory and antioxidant from Caesalpinia sappan L., inhibits adipocyte differentiation by inhibiting PPAR γ induction, inhibits the growth of skin cancer cells through increasing caspase-3 activity, and also possesses insecticidal activity.
Smiles
O=C1C=C2C(C=C1O)=C3C=4C=CC(O)=CC4OCC3(O)C2
Molecular Formula
C16H12O5
Molecular Weight
284.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6a,9,10-Trihydroxy-6a,7-dihydrobenzo(b)indeno(1,2-d)pyran-3(6H)-one

See also: Brazilein (annotation moved to).

CAS Number600-76-0
PubChem CID6453902
IUPAC Name6a,9,10-trihydroxy-6,7-dihydroindeno[2,1-c]chromen-3-one
Molecular FormulaC16H12O5
Molecular Weight284.26
XLogP0.1
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity602
SMILES
C1C2=CC(=C(C=C2C3=C4C=CC(=O)C=C4OCC31O)O)O
InChI
InChI=1S/C16H12O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,18-20H,6-7H2
InChIKey
PGERTGWKXFAEFR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6a,9,10-Trihydroxy-6a,7-dihydrobenzo(b)indeno(1,2-d)pyran-3(6H)-one
CAS: 600-76-0
CID: 6453902
Formula: C16H12O5
MW: 284.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.26
XLogP30.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass284.06847348
Monoisotopic Mass284.06847348
Topological Polar Surface Area87 Ų
Heavy Atom Count21
Formal Charge0
Complexity602
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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