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Daphnin

CAT: 0931-T10959-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T10959-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
486-55-5
Target
Others
Related Pathways
Others
Purity
0.9999
Bioactivity
Daphnin is a natural product isolated from Daphne tangutica Maxim that exhibits inhibitory effects on HepG2 and Hep3B cells.
Smiles
OC1=C2C(=CC=C1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=CC(=O)O2
Molecular Formula
C15H16O9
Molecular Weight
340.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Daphnin

Daphnin is a beta-D-glucoside. It is functionally related to a 7,8-dihydroxycoumarin.

CAS Number486-55-5
PubChem CID439499
IUPAC Name8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Molecular FormulaC15H16O9
Molecular Weight340.28
XLogP-0.6
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity495
SMILES
C1=CC(=C(C2=C1C=CC(=O)O2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C15H16O9/c16-5-8-10(18)12(20)13(21)15(23-8)22-7-3-1-6-2-4-9(17)24-14(6)11(7)19/h1-4,8,10,12-13,15-16,18-21H,5H2/t8-,10-,12+,13-,15-/m1/s1
InChIKey
HOIXTKAYCMNVMY-PVOAASPHSA-N
Chemical Structure
2D Structure
2D structure of Daphnin
CAS: 486-55-5
CID: 439499
Formula: C15H16O9
MW: 340.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.28
XLogP3-0.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass340.07943208
Monoisotopic Mass340.07943208
Topological Polar Surface Area146 Ų
Heavy Atom Count24
Formal Charge0
Complexity495
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

Related Products

CatalogName
T2851-01Daphnetin
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CatalogName
AR-D06381-01Daphnin
HY-N7252RDaphnin (Standard)

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