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Flavonoids

Xanthomicrol

PHY-NP-17516 · Natural product research catalog

Catalog numberPHY-NP-17516
CAS number16545-23-6
Molecular formulaC18H16O7
Molecular weight344.319 g/mol
Chemical classFlavonoids
Main reported sourceMentha piperita
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Xanthomicrol

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Product information

Xanthomicrol is listed in the Flavonoids 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 name5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxychromen-4-one
SMILESCOC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC)OC
InChIKeySAMBWAJRKKEEOR-UHFFFAOYSA-N
Subclass / scaffoldFlavones
PubChem CID73207

Computed properties

Exact mass (Da)344.0896Predicted LogP2.897
Predicted TPSA (Ų)98.36H-bond donors2
H-bond acceptors7Rotatable bonds4

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

View additional properties & classification
Ring count3
Aromatic rings3
Fraction Csp³0.167
Synthetic accessibility score2.48
QED score0.751
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassFlavonoids
NPClassifier classFlavones
Parent SMILESCOc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OC
Parent formulaC18H16O7
Parent molecular weight344.319
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceMentha piperita
Reported source familiesLamiaceae; Asteraceae; Rutaceae

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

View occurrence records & references
LOTUS / Wikidata speciesMentha piperita[3]; basil[3]; Baccharis quitensis[2]; Brickellia paniculata[2]; Chiliadenus iphionoides[2]; Citrus japonica[2]; Citrus sudachi[2]; Dracocephalum kotschyi[2]; Micromeria douglasii[2]; Ocimum americanum[2]; Ocimum gratissimum[2]; Sideritis angustifolia[2]; Sideritis leucantha[2]; Sideritis maura[2]; citron[2]
All reported source familiesLamiaceae[28]; Asteraceae[11]; Rutaceae[6]; Malvaceae[2]; Orobanchaceae[1]; Moraceae[1]
Genus / family recordscumquat[2]; Helichrysum[1]
LOTUS species records49
LOTUS reference records48
COCONUT occurrence recordsAcer triflorum; Allium nutans; Ambrosia deltoidea; Argyroxiphium sandwicense; Baccharis patens; Baccharis quitensis; Baccharis spp; Baccharis spp.; Baccharis tucumanensis; Bellardia trixago; Bombax ceiba; Bombax malabaricum; Bracteantha viscosa; Brickellia paniculata; Canis lupus familiaris; Cheilanthes argentea; Chiliadenus iphionoides; Citrus japonica; Citrus medica; Citrus reticulata; Citrus sudachi; Citrus sudachii; Citrus × deliciosa; Cunila angustifolia; Cunila incana; Dalea purpurea; Dracocephalum kotschyi; Dracocephalum multicaule; Drimia sanguinea; Ficus lyrata
COCONUT organism records94
COCONUT identifierCNP0149550.0

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 / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

Request applicable documentation and handling information before ordering or use.