Diarylheptanoids

(1E)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradeca-1,3-dien-5-one

PHY-NP-02053 · Natural product research catalog

Catalog number	PHY-NP-02053
CAS number	99742-04-8
Molecular formula	C₂₁H₃₀O₄
Molecular weight	346.467 g/mol
Chemical class	Diarylheptanoids
Main reported source	Zingiber officinale
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Pack	Price (USD)	Availability	Lead time
5 mg	Request quote	To be confirmed	Confirm in quotation
10 mg	Request quote	To be confirmed	Confirm in quotation
20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Product information

(1E)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradeca-1,3-dien-5-one is listed in the Diarylheptanoids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name	(1E)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradeca-1,3-dien-5-one
SMILES	CCCCCCCCCC(=O)C=C(/C=C/C1=CC(=C(C=C1)O)OC)O
InChIKey	NILVTWAPVHQVPS-JTGGJKNSSA-N
Subclass / scaffold	Linear diarylheptanoids
PubChem CID	172047400

Computed properties

Exact mass (Da)	346.2144	Predicted LogP	5.5657
Predicted TPSA (Å²)	66.76	H-bond donors	2
H-bond acceptors	4	Rotatable bonds	12

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	1
Aromatic rings	1
Fraction Csp³	0.476
Synthetic accessibility score	2.49
QED score	0.225
Lipinski rule violations	1
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Diarylheptanoids
NPClassifier class	Linear diarylheptanoids
Parent SMILES	CCCCCCCCCC(=O)C=C(O)/C=C/c1ccc(O)c(OC)c1
Parent formula	C₂₁H₃₀O₄
Parent molecular weight	346.467
Specified stereocenters	0
Unspecified stereocenters	0

Reported natural occurrence

Main reported source	Zingiber officinale

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS species records	0
LOTUS reference records	0
COCONUT occurrence records	Zingiber officinale
COCONUT organism records	1
COCONUT identifier	CNP0112120.2

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

Request applicable documentation and handling information before ordering or use.