Polyketides

4-(3-(4-Hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)propyl)-1,3-benzenediol

构树宁C

PHY-NP-11903 · Natural product research catalog

Catalog number	PHY-NP-11903
CAS number	76045-49-3
Molecular formula	C₂₀H₂₄O₃
Molecular weight	312.409 g/mol
Chemical class	Polyketides
Main reported source	Broussonetia papyrifera
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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5 mg	Request quote	To be confirmed	Confirm in quotation
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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

4-(3-(4-Hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)propyl)-1,3-benzenediol is listed in the Polyketides 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	4-[3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propyl]benzene-1,3-diol
SMILES	CC(=CCC1=C(C=CC(=C1)CCCC2=C(C=C(C=C2)O)O)O)C
InChIKey	CMOZGCJOTGLPKO-UHFFFAOYSA-N
Subclass / scaffold	Aromatic polyketides：Catechols with side chains
PubChem CID	442289

Computed properties

Exact mass (Da)	312.1725	Predicted LogP	4.4874
Predicted TPSA (Å²)	60.69	H-bond donors	3
H-bond acceptors	3	Rotatable bonds	6

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

View additional properties & classification

Ring count	2
Aromatic rings	2
Fraction Csp³	0.3
Synthetic accessibility score	2.41
QED score	0.689
Lipinski rule violations	0
NPClassifier pathway	Polyketides
NPClassifier superclass	Aromatic polyketides
NPClassifier class	Catechols with side chains
Parent SMILES	CC(C)=CCc1cc(CCCc2ccc(O)cc2O)ccc1O
Parent formula	C₂₀H₂₄O₃
Parent molecular weight	312.409
Specified stereocenters	0
Unspecified stereocenters	0

Reported natural occurrence

Main reported source	Broussonetia papyrifera
Reported source families	Moraceae

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

View occurrence records & references

LOTUS / Wikidata species	Broussonetia papyrifera[2]
All reported source families	Moraceae[1]
LOTUS species records	1
LOTUS reference records	2
COCONUT occurrence records	Broussonetia Papyrifera; Broussonetia kazinoki; Broussonetia papyrifera
COCONUT organism records	3
COCONUT identifier	CNP0418172.0

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.