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Macarangin

CAT: 0013-GTR19227883-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19227883-01Size:1 mg
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Description
Macarangin is a bioactive small molecule compound utilized in life science research. It serves as a valuable tool in both in vitro and in vivo studies, particularly in investigations related to metabolic pathways and cellular signaling processes.
CAS Number
129385-65-5
Smiles
OC1=C2C (OC (=C (O) C2=O) C3=CC=C (O) C=C3) =CC (O) =C1C/C=C (/CCC=C (C) C) \C
Molecular Formula
C25H26O6
Molecular Weight
422.477
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Macarangin

Macarangin is a tetrahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 7 and 4' and a geranyl group at position 6. It has been isolated from Macaranga bicolor. It has a role as a plant metabolite. It is a tetrahydroxyflavone and a 7-hydroxyflavonol.

CAS Number129385-65-5
PubChem CID10047854
IUPAC Name6-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular FormulaC25H26O6
Molecular Weight422.5
XLogP6.3
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity739
SMILES
CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)/C)C
InChI
InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-12-18-19(27)13-20-21(22(18)28)23(29)24(30)25(31-20)16-8-10-17(26)11-9-16/h5,7-11,13,26-28,30H,4,6,12H2,1-3H3/b15-7+
InChIKey
MBIJQAHZUBUPNM-VIZOYTHASA-N
Chemical Structure
2D Structure
2D structure of Macarangin
CAS: 129385-65-5
CID: 10047854
Formula: C25H26O6
MW: 422.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.5
XLogP36.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass422.17293854
Monoisotopic Mass422.17293854
Topological Polar Surface Area107 Ų
Heavy Atom Count31
Formal Charge0
Complexity739
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5791546Macarangin

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