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Arohynapene A

CAT: 0931-TN9107-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9107-02Size:50 mg
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CAS Number
154445-08-6
Target
Parasite
Related Pathways
Microbiology/Virology
Bioactivity
Arohynapene A is an anticoccidial compound that can inhibit the growth of Eimeria.
Smiles
C(=C/C=C/C(O)=O)\C1=C2C([C@@H](O)[C@@H](C)C[C@H]2C)=CC=C1C
Molecular Formula
C18H22O3
Molecular Weight
286.366
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Arohynapene A

Arohynapene A is a member of tetralins.

CAS Number154445-08-6
PubChem CID6443711
IUPAC Name(2E,4E)-5-(5-hydroxy-2,6,8-trimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)penta-2,4-dienoic acid
Molecular FormulaC18H22O3
Molecular Weight286.4
XLogP3.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity426
SMILES
CC1CC(C2=C(C1O)C=CC(=C2/C=C/C=C/C(=O)O)C)C
InChI
InChI=1S/C18H22O3/c1-11-8-9-15-17(12(2)10-13(3)18(15)21)14(11)6-4-5-7-16(19)20/h4-9,12-13,18,21H,10H2,1-3H3,(H,19,20)/b6-4+,7-5+
InChIKey
LPDVNGOVYMGORG-YDFGWWAZSA-N
Chemical Structure
2D Structure
2D structure of Arohynapene A
CAS: 154445-08-6
CID: 6443711
Formula: C18H22O3
MW: 286.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass286.15689456
Monoisotopic Mass286.15689456
Topological Polar Surface Area57.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity426
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19248425-01Arohynapene A
EGA44509-01Arohynapene-B
HY-W714863Arohynapene B

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