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Albanol B

CAT: 0013-GTR19220244Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220244Size:2 mg
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Description
Albanol B is a natural arylbenzofuran from mulberries with diverse bioactivities, including anti-Alzheimer's, antibacterial, and anticancer properties. It induces cancer cell apoptosis via G2/M arrest, CDK1 downregulation, and increased mitochondrial ROS, while modulating AKT and ERK1/2 signaling pathways in vitro.
CAS Number
87084-99-9
Field of Research
Cell Biology, Infectious Disease & Virology, Signal Transduction
Smiles
OC1=C ([C@@]23C=4C (C=5C (O2) =CC (=CC5O) C=6OC=7C (C6) =CC=C (O) C7) =CC (C) =CC4C=8C (O3) =CC (O) =CC8) C=CC (O) =C1
Molecular Formula
C34H22O8
Molecular Weight
558.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Albanol B

Albanol B is a member of benzofurans.

CAS Number87084-99-9
PubChem CID480819
IUPAC Name1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol
Molecular FormulaC34H22O8
Molecular Weight558.5
XLogP6.7
Topological Polar Surface Area133
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count42
Formal Charge0
Complexity995
SMILES
CC1=CC2=C3C(=C1)C4=C(C=C(C=C4OC3(OC5=C2C=CC(=C5)O)C6=C(C=C(C=C6)O)O)C7=CC8=C(O7)C=C(C=C8)O)O
InChI
InChI=1S/C34H22O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-15,35-39H,1H3
InChIKey
SMHBZVSVLIBGGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Albanol B
CAS: 87084-99-9
CID: 480819
Formula: C34H22O8
MW: 558.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.5
XLogP36.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass558.13146766
Monoisotopic Mass558.13146766
Topological Polar Surface Area133 Ų
Heavy Atom Count42
Formal Charge0
Complexity995
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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