Isoflavones

Dehydrodeguelin

脱氢鱼藤素

PHY-NP-05695 · Natural product research catalog

Catalog number	PHY-NP-05695
CAS number	3466-23-7
Molecular formula	C₂₃H₂₀O₆
Molecular weight	392.407 g/mol
Chemical class	Isoflavones
Main reported source	Derris canarensis
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Dehydrodeguelin 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.

IUPAC name	17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaen-13-one
SMILES	CC1(C=CC2=C(O1)C=CC3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4)OC)OC)C
InChIKey	NGQVFILFHVPLFE-UHFFFAOYSA-N
Subclass / scaffold	Rotenoids
PubChem CID	3083803

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

View additional properties & classification

Ring count	5
Aromatic rings	3
Fraction Csp³	0.261
Synthetic accessibility score	3.06
QED score	0.637
Lipinski rule violations	0
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Isoflavonoids
NPClassifier class	Rotenoids
Parent SMILES	COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)OC(C)(C)C=C4)CO2
Parent formula	C₂₃H₂₀O₆
Parent molecular weight	392.407
Specified stereocenters	0
Unspecified stereocenters	0

Main reported source	Derris canarensis
Reported source families	Fabaceae; Apocynaceae

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

View occurrence records & references

LOTUS / Wikidata species	Derris canarensis[2]; Derris cuneifolia[2]; Derris trifoliata[2]; Derris elliptica[1]; Derris malaccensis[1]; Derris montana[1]; Derris ovalifolia[1]; Millettia duchesnei[1]; Sarcolobus globosus[1]; Tephrosia candida[1]; Tephrosia tinctoria[1]; Tephrosia vogelii[1]
All reported source families	Fabaceae[12]; Apocynaceae[1]
Genus / family records	Derris[1]
LOTUS species records	12
LOTUS reference records	11
COCONUT occurrence records	Achillea cretica; Allium macrostemon; Amorpha fruticosa; Cordia americana; Crotalaria paniculata; Curcuma longa; Curcuma zedoaria; Derris; Derris Elliptica; Derris canarensis; Derris cuneifolia; Derris elliptica; Derris malaccensis; Derris montana; Derris oblonga; Derris ovalifolia; Derris trifoliata; Eupatorium riparium; Geijera parviflora; Geum japonicum; Glycosmis montana; Indigofera tinctoria; Lndigofera tinctoria; Luffa operculata; Millettia duchesnei; Millettia dura; Pedicularis semitorta; Sarcolobus globosus; Scopolia japonica; Spiraea japonica
COCONUT organism records	37
COCONUT identifier	CNP0296914.0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

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

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