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Chemical structure of Nepitrin

GC38985

Nepitrin

Also known as 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Nepitrin, isolated from Scrophularia striata, possess significant anti-inflammatory and anti-arthritic activity

ChemicalCAS569-90-4MW478.4FormulaC22H22O12
CAS number
569-90-4
Molecular weight
478.4
Formula
C22H22O12
Solubility
DMSO ： 100 mg/mL (209·03 mM; Need ultrasonic)
InChIKey
DMXHXBGUNHLMQO-IWLDQSELSA-N
Catalogue number
GC38985
Brand
GLPBIO
Computed properties PubChem CID 120742 · XLogP 0.5 · TPSA 196 Ų · H-bond donors 7
XLogP
0.5
TPSA
196 Ų
H-bond donors
7
H-bond acceptors
12
Rotatable bonds
5
Heavy atoms
34

SMILES COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Computed descriptors from PubChem (CID 120742), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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