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Hedychenone

CAT: 0804-HY-N4062-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N4062-01Size:1 mg
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Description
Hedychenone (compound 3) is a labdane diterpene. Hedychenone can be isolated from the rhizomes of Hedychium yunnanense. Hedychenone against HeLa cell with IC50 value of 9.76 μg/ml.
CAS Number
56324-54-0
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/hedychenone.html
Purity
99.62
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
C[C@@]12[C@](C(C=C([C@@H]2/C=C/C3=COC=C3)C)=O)([H])C(C)(CCC1)C
Molecular Formula
C20H26O2
Molecular Weight
298.42
References & Citations
[1]Yu-Peng Li, et al. New Labdane diterpenes from Hedychium yunnanense with cytotoxicity and inhibitory effects on nitric oxide production. Natural Product Research. 2016.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Hedychenone

(4S,4aR,8aS)-4-[(1E)-2-(furan-3-yl)ethenyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one has been reported in Hedychium coronarium and Hedychium spicatum with data available.

CAS Number56324-54-0
PubChem CID12067184
IUPAC Name(4S,4aR,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one
Molecular FormulaC20H26O2
Molecular Weight298.4
XLogP4.9
Topological Polar Surface Area30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity514
SMILES
CC1=CC(=O)[C@@H]2[C@@]([C@H]1/C=C/C3=COC=C3)(CCCC2(C)C)C
InChI
InChI=1S/C20H26O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3/b7-6+/t16-,18-,20+/m0/s1
InChIKey
MXTCKNHXBBXULO-ZJDHVTHPSA-N
Chemical Structure
2D Structure
2D structure of Hedychenone
CAS: 56324-54-0
CID: 12067184
Formula: C20H26O2
MW: 298.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.4
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass298.193280068
Monoisotopic Mass298.193280068
Topological Polar Surface Area30.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity514
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19181407Hedychenone

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