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Brazilin

CAT: 0926-FB74024-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FB74024-02Size:50 mg
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CAS Number
474-07-7
MDL Number
MFCD00210817
Smiles
C1C2=CC (=C (C=C2[C@H]3[C@@]1 (COC4=C3C=CC (=C4) O) O) O) O
Molecular Formula
C16H14O5
Molecular Weight
286.28 g/mol
Controlled
No

Chemical Information

Brazilin

Brazilin is a tertiary alcohol, a member of catechols and an organic heterotetracyclic compound. It has a role as an antioxidant, a biological pigment, an antibacterial agent, an antineoplastic agent, a hepatoprotective agent, an anti-inflammatory agent, an apoptosis inducer, a NF-kappaB inhibitor, a plant metabolite and a histological dye.

CAS Number474-07-7
PubChem CID73384
IUPAC Name(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol
Molecular FormulaC16H14O5
Molecular Weight286.28
XLogP1.5
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity415
SMILES
C1C2=CC(=C(C=C2[C@H]3[C@@]1(COC4=C3C=CC(=C4)O)O)O)O
InChI
InChI=1S/C16H14O5/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/h1-5,15,17-20H,6-7H2/t15-,16+/m0/s1
InChIKey
UWHUTZOCTZJUKC-JKSUJKDBSA-N
Chemical Structure
2D Structure
2D structure of Brazilin
CAS: 474-07-7
CID: 73384
Formula: C16H14O5
MW: 286.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.28
XLogP31.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass286.08412354
Monoisotopic Mass286.08412354
Topological Polar Surface Area90.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity415
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5751025Brazilin
AB0884(+) -Brazilin
300022Brazilin (Brasilin)
A14723-50Brazilin 50mg
A14723-25Brazilin 25mg
A14723-5Brazilin 5mg
HY-N0072R-01Brazilin (Standard)
A14723-200Brazilin 200mg
A14723-100Brazilin 100mg
A14723-10Brazilin 10mg

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