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Lsocryptomerin

CAT: 0804-HY-N11506-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N11506-01Size:1 mg
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Description
Lsocryptomerin is a membrane-active antifungal compound that can be isolated from Selaginella tamariscina. lsocryptomerin can depolarize fungal plasma membrane. lsocryptomerin also shows anticancer and antibacterial activities[1][2].
CAS Number
20931-58-2
UNSPSC
12352005
Target
Bacterial; Fungal
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Infection
Assay Protocol
https://www.medchemexpress.com/lsocryptomerin.html
Solubility
10 mM in DMSO
Smiles
O=C1C=C(C2=CC=C(OC3=C(C4=C(C=C3OC)OC(C5=CC=C(O)C=C5)=CC4=O)O)C=C2)OC6=C1C(O)=CC(O)=C6
Molecular Formula
C31H20O10
Molecular Weight
552.48
References & Citations
[1]Lee J, et al. Isocryptomerin, a novel membrane-active antifungal compound from Selaginella tamariscina. Biochem Biophys Res Commun. 2009 Feb 13;379 (3) :676-80.|[2]Lee J, et al. Antibacterial and synergistic activity of isocryptomerin isolated from Selaginella tamariscina. J Microbiol Biotechnol. 2009 Feb;19 (2) :204-7.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Isocryptomerin

Isocryptomerin has been reported in Taxodium mucronatum, Selaginella denticulata, and other organisms with data available.

CAS Number20931-58-2
PubChem CID5318537
IUPAC Name6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Molecular FormulaC31H20O10
Molecular Weight552.5
XLogP5.6
Topological Polar Surface Area152
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count41
Formal Charge0
Complexity1040
SMILES
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O
InChI
InChI=1S/C31H20O10/c1-38-27-14-26-29(22(36)13-24(41-26)15-2-6-17(32)7-3-15)30(37)31(27)39-19-8-4-16(5-9-19)23-12-21(35)28-20(34)10-18(33)11-25(28)40-23/h2-14,32-34,37H,1H3
InChIKey
PTKBMDRXKOIHCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isocryptomerin
CAS: 20931-58-2
CID: 5318537
Formula: C31H20O10
MW: 552.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.5
XLogP35.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass552.10564683
Monoisotopic Mass552.10564683
Topological Polar Surface Area152 Ų
Heavy Atom Count41
Formal Charge0
Complexity1040
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

Alternative Products

CatalogName
T75610-01Lsocryptomerin

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