Iridoids

Verminoside

6-O-反式咖啡酰梓醇

PHY-NP-07491 · Natural product research catalog

Catalog number	PHY-NP-07491
CAS number	50932-19-9
Molecular formula	C₂₄H₂₈O₁₃
Molecular weight	524.475 g/mol
Chemical class	Iridoids
Main reported source	blue water-speedwell
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Verminoside is listed in the Iridoids 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	[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SMILES	C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChIKey	MZQXNUBTVLKMLP-QOEJBJAYSA-N
Subclass / scaffold	Iridoids monoterpenoids
PubChem CID	12000883

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

View additional properties & classification

Ring count	5
Aromatic rings	1
Fraction Csp³	0.542
Synthetic accessibility score	5.09
QED score	0.09
Lipinski rule violations	3
NPClassifier pathway	Terpenoids
NPClassifier superclass	Monoterpenoids
NPClassifier class	Iridoids monoterpenoids
Parent SMILES	O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12
Parent formula	C₂₄H₂₈O₁₃
Parent molecular weight	524.475
Specified stereocenters	11
Unspecified stereocenters	0

Main reported source	blue water-speedwell
Reported source families	Plantaginaceae; Bignoniaceae; Scrophulariaceae

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

View occurrence records & references

LOTUS / Wikidata species	blue water-speedwell[2]; Eremophila ionantha[1]; Picrorhiza scrophulariiflora[1]; Stereospermum acuminatissimum[1]; Stereospermum colais[1]; Stereospermum cylindricum[1]; Stereospermum tetragonum[1]; Veronica alpina[1]; Veronica bellidioides[1]; Veronica cymbalaria[1]; Veronica filiformis[1]; Veronica kellereri[1]; Veronica lavaudiana[1]; Veronica longifolia[1]; Veronica officinalis[1]
All reported source families	Plantaginaceae[15]; Bignoniaceae[4]; Scrophulariaceae[1]
LOTUS species records	20
LOTUS reference records	17
COCONUT occurrence records	Eremophila ionantha; Kigelia Africana; Picrorhiza scrophulariiflora; Stereospermum Cylindricum; Stereospermum acuminatissimum; Stereospermum colais; Stereospermum cylindricum; Stereospermum tetragonum; Veronica alpina; Veronica bellidioides; Veronica cymbalaria; Veronica filiformis; Veronica kellereri; Veronica lavaudiana; Veronica longifolia; Veronica officinalis; Veronica orientalis; Veronica persica; Veronica pulvinaris; Veronica thomsonii; blue water-speedwell; ivy-leaved speedwell
COCONUT organism records	22
COCONUT identifier	CNP0307783.3

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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