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Daphnegiravone D

CAT: 0013-GTR19238130-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238130-02Size:100 mg
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Description
Daphnegiravone D is a selective HDAC6 inhibitor that demonstrates anti-hepatocellular carcinoma activity by inducing apoptosis and suppressing cancer cell proliferation through activation of the p38 and JNK MAPK pathways. This small molecule is a valuable research tool for studying HDAC6 biology and liver cancer mechanisms in both in vitro and in vivo models.
CAS Number
2581826-37-9
Smiles
O=C1C (OC) =C (OC=2C1=C (O) C=C (O) C2CC=C (C) C) C=3C=CC (O) =C (C3) CC=C (C) C
Molecular Formula
C26H28O6
Molecular Weight
436.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Daphnegiravone D
CAS Number2581826-37-9
PubChem CID133561570
IUPAC Name5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-3-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
Molecular FormulaC26H28O6
Molecular Weight436.5
XLogP6.7
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity773
SMILES
CC(=CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)OC)O)C
InChI
InChI=1S/C26H28O6/c1-14(2)6-8-16-12-17(9-11-19(16)27)24-26(31-5)23(30)22-21(29)13-20(28)18(25(22)32-24)10-7-15(3)4/h6-7,9,11-13,27-29H,8,10H2,1-5H3
InChIKey
DRQTXIBLDSADNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Daphnegiravone D
CAS: 2581826-37-9
CID: 133561570
Formula: C26H28O6
MW: 436.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.5
XLogP36.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass436.18858861
Monoisotopic Mass436.18858861
Topological Polar Surface Area96.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity773
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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