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Neocryptotanshinone

CAT: 0931-TN1980-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1980-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
109664-02-0
Target
NF-κB, NOS, NO Synthase
Related Pathways
Immunology/Inflammation, NF-κB
Purity
0.9899
Bioactivity
Neocryptotanshinone inhibits rabbit platelet aggregation induced by arachidonic acid.
Smiles
C[C@@H](CO)C1=C(O)C(=O)c2c3CCCC(C)(C)c3ccc2C1=O
Molecular Formula
C19H22O4
Molecular Weight
314.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-hydroxy-2-((2R)-1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione

1-hydroxy-2-[(2R)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione has been reported in Salvia miltiorrhiza with data available.

CAS Number109664-02-0
PubChem CID389888
IUPAC Name1-hydroxy-2-[(2R)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione
Molecular FormulaC19H22O4
Molecular Weight314.4
XLogP3
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity560
SMILES
C[C@@H](CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O
InChI
InChI=1S/C19H22O4/c1-10(9-20)14-16(21)12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(23)17(14)22/h6-7,10,20-21H,4-5,8-9H2,1-3H3/t10-/m0/s1
InChIKey
LGZFJHSOBYVDLA-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of 1-hydroxy-2-((2R)-1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione
CAS: 109664-02-0
CID: 389888
Formula: C19H22O4
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass314.15180918
Monoisotopic Mass314.15180918
Topological Polar Surface Area74.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity560
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA6095-1Neocryptotanshinone
380925Neocryptotanshinone II

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