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Ostruthin

CAT: 0804-HY-W506116-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W506116-01Size:1 mg
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Description
Ostruthin (Ostruthine) is an antimycobacterial coumarin, that can be isolated from the roots of Peucedanum ostruthium. Ostruthin causes a marked inhibition of the growth of gram-positive micro-organisms[1][2].
CAS Number
148-83-4
Product Name Alternative
Ostruthine
UNSPSC
12352005
Hazard Statement
H410
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/ostruthin.html
Purity
98.84
Smiles
C/C(C)=C\CC/C(C)=C/CC1=C(O)C=C2C(C=CC(O2)=O)=C1
Molecular Formula
C19H22O3
Molecular Weight
298.38
Precautions
H410
References & Citations
[1]DADáK, V. Neutralization of the Antibacterial Effect of Natural Coumarin Ostruthine by Vitamins K. Nature, 1965, 205 (4972) :709-710.|[2]Schinkovitz A, et al. Ostruthin: an antimycobacterial coumarin from the roots of Peucedanum ostruthium. Planta Med. 2003 Apr;69 (4) :369-71.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ostruthin

Ostruthin is a terpene lactone. It has a role as a metabolite.

CAS Number148-83-4
PubChem CID5281420
IUPAC Name6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one
Molecular FormulaC19H22O3
Molecular Weight298.4
XLogP5.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity483
SMILES
CC(=CCC/C(=C/CC1=C(C=C2C(=C1)C=CC(=O)O2)O)/C)C
InChI
InChI=1S/C19H22O3/c1-13(2)5-4-6-14(3)7-8-15-11-16-9-10-19(21)22-18(16)12-17(15)20/h5,7,9-12,20H,4,6,8H2,1-3H3/b14-7+
InChIKey
INBMTJJPUABOQJ-VGOFMYFVSA-N
Chemical Structure
2D Structure
2D structure of Ostruthin
CAS: 148-83-4
CID: 5281420
Formula: C19H22O3
MW: 298.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.4
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass298.15689456
Monoisotopic Mass298.15689456
Topological Polar Surface Area46.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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