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Maackiaflavanone

CAT: 0926-GGA16210-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-GGA16210-01Size:10 mg
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CAS Number
156162-10-6
Smiles
CC1=C (C (=CC=C1) C2=CC=C (C=C2) C=O) Cl
Molecular Formula
C26H30O6
Molecular Weight
438.50 g/mol
Controlled
No

Chemical Information

Maackiaflavanone

CID 124355910 has been reported in Maackia amurensis with data available.

CAS Number156162-10-6
PubChem CID124355910
IUPAC Name(2S)-2-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Molecular FormulaC26H30O6
Molecular Weight438.5
XLogP6.2
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity707
SMILES
CC(=CCC1=CC(=C(C=C1O)O)[C@@H]2CC(=O)C3=C(O2)C(=C(C=C3O)OC)CC=C(C)C)C
InChI
InChI=1S/C26H30O6/c1-14(2)6-8-16-10-18(20(28)11-19(16)27)24-13-22(30)25-21(29)12-23(31-5)17(26(25)32-24)9-7-15(3)4/h6-7,10-12,24,27-29H,8-9,13H2,1-5H3/t24-/m0/s1
InChIKey
DVNXMSLAHMVXOH-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of Maackiaflavanone
CAS: 156162-10-6
CID: 124355910
Formula: C26H30O6
MW: 438.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.5
XLogP36.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass438.20423867
Monoisotopic Mass438.20423867
Topological Polar Surface Area96.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity707
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
MBS5762712Maackiaflavanone

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