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Isoflavones

Warangalone

攀登鱼藤异黄酮

PHY-NP-05634 · Natural product research catalog

Catalog numberPHY-NP-05634
CAS number4449-55-2
Molecular formulaC25H24O5
Molecular weight404.462 g/mol
Chemical classIsoflavones
Main reported sourceDeguelia scandens
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Warangalone

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Product information

Warangalone is listed in the Isoflavones 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-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
SMILESCC(=CCC1=C2C(=C(C3=C1OC=C(C3=O)C4=CC=C(C=C4)O)O)C=CC(O2)(C)C)C
InChIKeyHGHOPAZIUPORIN-UHFFFAOYSA-N
Subclass / scaffoldIsoflavones
PubChem CID5379679

Computed properties

Exact mass (Da)404.1624Predicted LogP5.5641
Predicted TPSA (Ų)79.9H-bond donors2
H-bond acceptors5Rotatable bonds3

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

View additional properties & classification
Ring count4
Aromatic rings3
Fraction Csp³0.24
Synthetic accessibility score3.14
QED score0.558
Lipinski rule violations1
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassIsoflavonoids
NPClassifier classIsoflavones
Parent SMILESCC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)C=CC(C)(C)O2
Parent formulaC25H24O5
Parent molecular weight404.462
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceDeguelia scandens
Reported source familiesFabaceae; Moraceae

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

View occurrence records & references
LOTUS / Wikidata speciesDeguelia scandens[4]; Millettia pachycarpa[4]; Erythrina senegalensis[3]; Erythrina sigmoidea[3]; Euchresta horsfieldii[3]; Erythrina addisoniae[2]; Erythrina variegata[2]; Maclura pomifera[2]; Millettia extensa[2]; Erythrina fusca[1]; Erythrina mildbraedii[1]; Erythrina vogelii[1]; Euchresta japonica[1]; Ormosia monosperma[1]; Tephrosia elata[1]
All reported source familiesFabaceae[14]; Moraceae[1]
LOTUS species records15
LOTUS reference records30
COCONUT occurrence recordsAbsidia caerulea; Alsidium corallinum; Anthotroche myoporoides; Astragalus flexus; Axinella weltneri; Dactynotus ambrosiae; Deguelia scandens; Derris Scandens; Derris scandens; Erythrina Variegata; Erythrina addisoniae; Erythrina fusca; Erythrina mildbraedii; Erythrina senegalensis; Erythrina sigmoidea; Erythrina variegata; Erythrina variegate; Erythrina vogelii; Euchresta horsfieldii; Euchresta japonica; Galdieria sulphuraria; Helenium virginicum; Heliotropium digynum; Hypericum caprifoliatum; Lactococcus lactis; Maclura pomifera; Millettia extensa; Millettia pachycarpa; Nannoglottis ravida; Ormosia monosperma
COCONUT organism records32
COCONUT identifierCNP0215914.0
Source reference DOI(s)10.1021/ACS.JNATPROD.9B00216.S001

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.