Diarylheptanoids

5-Hydroxy-1,7-Diphenylheptan-3-One

5-羟基-1,7-二苯基-3-庚酮

PHY-NP-02094 · Natural product research catalog

Catalog number	PHY-NP-02094
CAS number	55836-43-6
Molecular formula	C₁₉H₂₂O₂
Molecular weight	282.383 g/mol
Chemical class	Diarylheptanoids
Main reported source	Alnus firma
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

5-Hydroxy-1,7-Diphenylheptan-3-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	5-hydroxy-1,7-diphenylheptan-3-one
SMILES	C1=CC=C(C=C1)CCC(CC(=O)CCC2=CC=CC=C2)O
InChIKey	CCNKTMMNRPJQHV-UHFFFAOYSA-N
Subclass / scaffold	Linear diarylheptanoids
PubChem CID	562075

Computed properties

Exact mass (Da)	282.162	Predicted LogP	3.5721
Predicted TPSA (Å²)	37.3	H-bond donors	1
H-bond acceptors	2	Rotatable bonds	8

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

View additional properties & classification

Ring count	2
Aromatic rings	2
Fraction Csp³	0.316
Synthetic accessibility score	2.22
QED score	0.803
Lipinski rule violations	0
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Diarylheptanoids
NPClassifier class	Linear diarylheptanoids
Parent SMILES	O=C(CCc1ccccc1)CC(O)CCc1ccccc1
Parent formula	C₁₉H₂₂O₂
Parent molecular weight	282.383
Specified stereocenters	0
Unspecified stereocenters	1

Reported natural occurrence

Main reported source	Alnus firma
Reported source families	Betulaceae

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

View occurrence records & references

LOTUS / Wikidata species	Alnus firma[1]; Alnus sieboldiana[1]
All reported source families	Betulaceae[2]
LOTUS species records	2
LOTUS reference records	2
COCONUT occurrence records	Alnus maximowiczii; Alnus sieboldiana; Alpinia officinarum; Amomum longiligulare; Amomum villosum; Amomum xanthioides; Wurfbainia villosa var. xanthioides
COCONUT organism records	7
COCONUT identifier	CNP0262197.1

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.