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(+) - (3R,8S) -Falcarindiol

CAT: 0013-GTR19188325-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188325-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(+) - (3R,8S) -Falcarindiol is a carrot-derived polyacetylene with demonstrated anti-inflammatory, antitumor, and antioxidant properties. It exhibits potent antimycobacterial activity against Mycobacterium tuberculosis H37Ra, with reported MIC and IC50 values of 24 μM and 6 μM, respectively, supporting its investigation in infectious disease and pharmacology research.
CAS Number
225110-25-8
Product Name Alternative
Inhibit, Inhibitor, Falcarindiol, Bacterial, 3 (R),8 (S),9 (Z) -Falcarindiol, (3R,8S) -Falcarindiol, (+) (3R,8S) Falcarindiol, (+) (3R,8S) Falcarindiol
Field of Research
Infectious Disease & Virology
Purity
97.06% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (7.68 mM) ; DMSO:60 mg/mL (230.44 mM) ; Chloroform, Dichloromethane, Ethyl Acetate, Acetone, etc.:Soluble
Smiles
CCCCCCC\C=C/[C@H] (O) C#CC#C[C@H] (O) C=C
Molecular Formula
C17H24O2
Molecular Weight
260.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Falcarindiol

(3S,8S)-Falcarindiol has been reported in Angelica japonica, Dendropanax arboreus, and other organisms with data available.

CAS Number225110-25-8
PubChem CID5281148
IUPAC Name(3R,8S,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
Molecular FormulaC17H24O2
Molecular Weight260.4
XLogP4.4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count19
Formal Charge0
Complexity394
SMILES
CCCCCCC/C=C\[C@@H](C#CC#C[C@@H](C=C)O)O
InChI
InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1
InChIKey
QWCNQXNAFCBLLV-YWALDVPYSA-N
Chemical Structure
2D Structure
2D structure of Falcarindiol
CAS: 225110-25-8
CID: 5281148
Formula: C17H24O2
MW: 260.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.4
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass260.177630004
Monoisotopic Mass260.177630004
Topological Polar Surface Area40.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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