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Ficusin A

CAT: 0804-HY-N3896Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N3896Size:1 Each
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Description
Ficusin A is an isoprenylated flavonoid. Ficusin A can be isolated from the twigs of Ficus hispida[1].
CAS Number
173429-83-9
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ficusin-a.html
Solubility
10 mM in DMSO
Smiles
OC1=CC(O)=C(C(C(C2=CC=C(C=C2)O)=CO3)=O)C3=C1[C@H]4[C@@H](CCC(C)=C4)C(C)=C
Molecular Formula
C25H24O5
Molecular Weight
404.46
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Shi ZF, et al. New Alkaloids and α-Glucosidase Inhibitory Flavonoids from Ficus hispida. Chem Biodivers. 2016 Apr;13 (4) :445-50.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Ficusin A

5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]chromen-4-one has been reported in Ficus septica with data available.

CAS Number173429-83-9
PubChem CID15231941
IUPAC Name5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]chromen-4-one
Molecular FormulaC25H24O5
Molecular Weight404.5
XLogP5.6
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity745
SMILES
CC1=C[C@H]([C@@H](CC1)C(=C)C)C2=C(C=C(C3=C2OC=C(C3=O)C4=CC=C(C=C4)O)O)O
InChI
InChI=1S/C25H24O5/c1-13(2)17-9-4-14(3)10-18(17)22-20(27)11-21(28)23-24(29)19(12-30-25(22)23)15-5-7-16(26)8-6-15/h5-8,10-12,17-18,26-28H,1,4,9H2,2-3H3/t17-,18+/m0/s1
InChIKey
LRYZMDSDXSWBMU-ZWKOTPCHSA-N
Chemical Structure
2D Structure
2D structure of Ficusin A
CAS: 173429-83-9
CID: 15231941
Formula: C25H24O5
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP35.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass404.16237386
Monoisotopic Mass404.16237386
Topological Polar Surface Area87 Ų
Heavy Atom Count30
Formal Charge0
Complexity745
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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