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Lsocryptomerin

CAT: 0931-T75610-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T75610-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20931-58-2
Target
Antifungal, Others, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
Isocryptomerin, a membrane-active antifungal compound isolated from Selaginella tamariscina, not only depolarizes fungal plasma membranes but also exhibits anticancer and antibacterial activities [1] [2].
Smiles
OC1=C2C(OC(=CC2=O)C3=CC=C(O)C=C3)=CC(OC)=C1OC4=CC=C(C=C4)C=5OC=6C(C(=O)C5)=C(O)C=C(O)C6
Molecular Formula
C31H20O10
Molecular Weight
552.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
GTR19220238-01Lsocryptomerin

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