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Nepitrin

CAT: 0804-HY-N5010-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N5010-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Nepitrin, isolated from Scrophularia striata, possess significant anti-inflammatory and anti-arthritic activity[1][2].
CAS Number
569-90-4
Product Name Alternative
Nepetin-7-glucoside
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/nepitrin.html
Purity
99.36
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1C=C(C2=CC=C(O)C(O)=C2)OC3=CC(O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)=C(OC)C(O)=C13
Molecular Formula
C22H22O12
Molecular Weight
478.40
Precautions
H302, H315, H319, H335
References & Citations
[1]Monsef-Esfahani HR, et al. Flavonoids, cinnamic acid and phenyl propanoid from aerial parts of Scrophularia striata. Pharm Biol. 2010 Mar;48 (3) :333-6.|[2]Agarwal OP, et al. The anti-inflammatory action of nepitrin, a flavonoid. Agents Actions. 1982 Jul;12 (3) :298-302.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Nepitrin

Nepitrin is a glycoside and a member of flavonoids.

CAS Number569-90-4
PubChem CID120742
IUPAC Name2-(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
Molecular FormulaC22H22O12
Molecular Weight478.4
XLogP0.5
Topological Polar Surface Area196
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity760
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
InChI
InChI=1S/C22H22O12/c1-31-21-14(33-22-20(30)19(29)17(27)15(7-23)34-22)6-13-16(18(21)28)11(26)5-12(32-13)8-2-3-9(24)10(25)4-8/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22-/m1/s1
InChIKey
DMXHXBGUNHLMQO-IWLDQSELSA-N
Chemical Structure
2D Structure
2D structure of Nepitrin
CAS: 569-90-4
CID: 120742
Formula: C22H22O12
MW: 478.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.4
XLogP30.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass478.11112613
Monoisotopic Mass478.11112613
Topological Polar Surface Area196 Ų
Heavy Atom Count34
Formal Charge0
Complexity760
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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