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8,8''-Bibaicalein

CAT: 0804-HY-N8842-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N8842-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
8,8''-Bibaicalein is a natural product that can be found in baicalensis[1].
CAS Number
135309-02-3
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/8-8-bibaicalein.html
Solubility
10 mM in DMSO
Smiles
OC(C(C(C(O)=C1O)=C(OC(C2=CC=CC=C2)=CC3=O)C3=C1O)=C(OC(C4=CC=CC=C4)=CC5=O)C5=C6O)=C6O
Molecular Formula
C30H18O10
Molecular Weight
538.46
References & Citations
[1]Liu G, et al. Investigation of flavonoid profile of Scutellaria bacalensis Georgi by high performance liquid chromatography with diode array detection and electrospray ion trap mass spectrometry. J Chromatogr A. 2009 Jun 5;1216 (23) :4809-14.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

8,8''-Bibaicalein

5,6,7-Trihydroxy-2-phenyl-8-(5,6,7-trihydroxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one has been reported in Scutellaria alpina, Chamaemespilus alpina, and Aria edulis with data available.

CAS Number135309-02-3
PubChem CID14889329
IUPAC Name5,6,7-trihydroxy-2-phenyl-8-(5,6,7-trihydroxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
Molecular FormulaC30H18O10
Molecular Weight538.5
XLogP5
Topological Polar Surface Area174
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count40
Formal Charge0
Complexity961
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)C4=C5C(=C(C(=C4O)O)O)C(=O)C=C(O5)C6=CC=CC=C6)O)O)O
InChI
InChI=1S/C30H18O10/c31-15-11-17(13-7-3-1-4-8-13)39-29-19(15)23(33)27(37)25(35)21(29)22-26(36)28(38)24(34)20-16(32)12-18(40-30(20)22)14-9-5-2-6-10-14/h1-12,33-38H
InChIKey
NRYPLIKKTVVLMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8,8''-Bibaicalein
CAS: 135309-02-3
CID: 14889329
Formula: C30H18O10
MW: 538.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.5
XLogP35
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass538.08999677
Monoisotopic Mass538.08999677
Topological Polar Surface Area174 Ų
Heavy Atom Count40
Formal Charge0
Complexity961
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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