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Re 80

CAT: 0931-T26053-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26053-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116193-60-3
Target
Others
Related Pathways
Others
Bioactivity
Re 80 is a retinoic acid receptor (RAR) agonist.
Smiles
CC1(C)C=2C(=CC(O)=C(C(/C=C(\O)/C3=CC=C(C(O)=O)C=C3)=O)C2)C(C)(C)CC1
Molecular Formula
C24H26O5
Molecular Weight
394.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Re 80

structure given in first source; an anti-angiogenic agent

CAS Number116193-60-3
PubChem CID6440834
IUPAC Name4-[(Z)-1-hydroxy-3-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxoprop-1-enyl]benzoic acid
Molecular FormulaC24H26O5
Molecular Weight394.5
XLogP6
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity669
SMILES
CC1(CCC(C2=C1C=C(C(=C2)O)C(=O)/C=C(/C3=CC=C(C=C3)C(=O)O)\O)(C)C)C
InChI
InChI=1S/C24H26O5/c1-23(2)9-10-24(3,4)18-12-20(26)16(11-17(18)23)21(27)13-19(25)14-5-7-15(8-6-14)22(28)29/h5-8,11-13,25-26H,9-10H2,1-4H3,(H,28,29)/b19-13-
InChIKey
PZYFNWUXYUMHGR-UYRXBGFRSA-N
Chemical Structure
2D Structure
2D structure of Re 80
CAS: 116193-60-3
CID: 6440834
Formula: C24H26O5
MW: 394.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.5
XLogP36
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass394.17802393
Monoisotopic Mass394.17802393
Topological Polar Surface Area94.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity669
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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