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4'-O-Methylabyssinone V

CAT: 0013-GTR19228489-01Size: 1 mgDry Ice: NoHazardous: No
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Description
4'-O-Methylabyssinone V (CAS 201480-12-8) is a bioactive flavonoid used in life science research. It serves as a valuable reference standard and research tool for in vitro studies investigating its potential biological activities, including antimicrobial and anti-inflammatory properties.
CAS Number
201480-12-8
Smiles
COc1c (CC=C (C) C) cc (cc1CC=C (C) C) [C@@H]1CC (=O) c2c (O) cc (O) cc2O1
Molecular Formula
C26H30O5
Molecular Weight
422.521
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Abyssinone V 4'-methyl ether

abyssinone V 4'-methyl ether has been reported in Erythrina addisoniae, Erythrina mildbraedii, and other organisms with data available.

CAS Number201480-12-8
PubChem CID6548074
IUPAC Name(2S)-5,7-dihydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Molecular FormulaC26H30O5
Molecular Weight422.5
XLogP6.6
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity645
SMILES
CC(=CCC1=CC(=CC(=C1OC)CC=C(C)C)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)C
InChI
InChI=1S/C26H30O5/c1-15(2)6-8-17-10-19(11-18(26(17)30-5)9-7-16(3)4)23-14-22(29)25-21(28)12-20(27)13-24(25)31-23/h6-7,10-13,23,27-28H,8-9,14H2,1-5H3/t23-/m0/s1
InChIKey
JHEBMTRMMJXPTM-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of Abyssinone V 4'-methyl ether
CAS: 201480-12-8
CID: 6548074
Formula: C26H30O5
MW: 422.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.5
XLogP36.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass422.20932405
Monoisotopic Mass422.20932405
Topological Polar Surface Area76 Ų
Heavy Atom Count31
Formal Charge0
Complexity645
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

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