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Restricticin

CAT: 0931-T26064-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26064-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
135357-96-9
Target
Others, Antifungal
Related Pathways
Others, Microbiology/Virology
Bioactivity
Restricticin is used as a naturally-occurring antifungal agent which contains triene, pyran and glycine ester functionalities.
Smiles
CCC\C=C\C=C\C=C(/C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1OC(=O)CN
Molecular Formula
C19H31NO4
Molecular Weight
337.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Restricticin

from Penicllium restrictum; structure given in first source; inhibits P450 lanosterol C-14 demethylase

CAS Number135357-96-9
PubChem CID10382451
IUPAC Name[(2S,3R,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate
Molecular FormulaC19H31NO4
Molecular Weight337.5
XLogP3.4
Topological Polar Surface Area70.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count24
Formal Charge0
Complexity470
SMILES
CCC/C=C/C=C/C=C(\C)/[C@H]1[C@@H]([C@H]([C@H](CO1)C)OC)OC(=O)CN
InChI
InChI=1S/C19H31NO4/c1-5-6-7-8-9-10-11-14(2)18-19(24-16(21)12-20)17(22-4)15(3)13-23-18/h7-11,15,17-19H,5-6,12-13,20H2,1-4H3/b8-7+,10-9+,14-11+/t15-,17-,18-,19+/m0/s1
InChIKey
FIFAQBUMNRZWOQ-WGFJUHIKSA-N
Chemical Structure
2D Structure
2D structure of Restricticin
CAS: 135357-96-9
CID: 10382451
Formula: C19H31NO4
MW: 337.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass337.22530847
Monoisotopic Mass337.22530847
Topological Polar Surface Area70.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19224461-01Restricticin

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