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Decursinol

CAT: 0013-GTR19167245-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167245-01Size:1 mg
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Description
Decursinol, a bioactive compound derived from Angelica gigas roots, exhibits antinociceptive properties alongside anti-tumor and anti-metastatic activities. It is utilized in cancer research, with studies demonstrating its efficacy in both in vitro cell-based assays and in vivo animal models of pain and metastasis.
CAS Number
23458-02-8
Product Name Alternative
Inhibitor, inhibit, Decursinol
Field of Research
Cell Biology, Metabolism Research, Pharmacology & Drug Discovery, Protein Biochemistry, Signal Transduction
Purity
99.19% (May vary between batches)
Solubility
DMSO:55 mg/mL (223.34 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (8.12 mM)
Smiles
CC1 (C) Oc2cc3oc (=O) ccc3cc2C[C@@H]1O
Molecular Formula
C14H14O4
Molecular Weight
246.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+)-Decursinol

Decursinol is an organic heterotricyclic compound that is 7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one substituted by a beta-hydroxy group at position 7 and two methyl groups at position 8. It is isolated from the roots of Angelica gigas and has been found to possess significant inhibitory activity against acetylcholinesterase enzyme (EC 3.1.1.7). It has a role as a metabolite, an analgesic, an antineoplastic agent and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is a delta-lactone, an organic heterotricyclic compound, a secondary alcohol and a cyclic ether.

CAS Number23458-02-8
PubChem CID442127
IUPAC Name(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
Molecular FormulaC14H14O4
Molecular Weight246.26
XLogP1.9
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity387
SMILES
CC1([C@H](CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C
InChI
InChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3/t12-/m0/s1
InChIKey
BGXFQDFSVDZUIW-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of (+)-Decursinol
CAS: 23458-02-8
CID: 442127
Formula: C14H14O4
MW: 246.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.26
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass246.08920892
Monoisotopic Mass246.08920892
Topological Polar Surface Area55.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity387
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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