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Flavonoids

Cyclomorusin

环桑色烯

PHY-NP-17304 · Natural product research catalog

Catalog numberPHY-NP-17304
CAS number62596-34-3
Molecular formulaC25H22O6
Molecular weight418.445 g/mol
Chemical classFlavonoids
Main reported sourceMorus alba
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Cyclomorusin

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Product information

Cyclomorusin 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 name11,19-dihydroxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one
SMILESCC(=CC1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O)C
InChIKeyGDQXJMLXEYSICD-UHFFFAOYSA-N
Subclass / scaffoldFlavones
PubChem CID5481969

Computed properties

Exact mass (Da)418.1416Predicted LogP5.4551
Predicted TPSA (Ų)89.13H-bond donors2
H-bond acceptors6Rotatable bonds1

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

View additional properties & classification
Ring count5
Aromatic rings3
Fraction Csp³0.24
Synthetic accessibility score3.94
QED score0.511
Lipinski rule violations1
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassFlavonoids
NPClassifier classFlavones
Parent SMILESCC(C)=CC1Oc2cc(O)ccc2-c2oc3c4c(cc(O)c3c(=O)c21)OC(C)(C)C=C4
Parent formulaC25H22O6
Parent molecular weight418.445
Specified stereocenters0
Unspecified stereocenters1

Reported natural occurrence

Main reported sourceMorus alba
Reported source familiesMoraceae

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

View occurrence records & references
LOTUS / Wikidata speciesMorus alba[7]; breadfruit[3]; Morus lhou[2]; Artocarpus elasticus[1]; Morus australis[1]; Morus indica[1]; Morus nigra[1]; Sorocea bonplandii[1]
All reported source familiesMoraceae[8]
LOTUS species records8
LOTUS reference records13
COCONUT occurrence recordsArtocarpus altilis; Artocarpus communis; Artocarpus elasticus; Morus alba; Morus australis; breadfruit
COCONUT organism records6
COCONUT identifierCNP0148030.1

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

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