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Azadirachtin

CAT: 0931-TN1417-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1417-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
11141-17-6
Target
Antifection, Parasite, Apoptosis, Bcl-2 Family, NF-κB, Caspase
Related Pathways
NF-κB, Proteases/Proteasome, Apoptosis, Microbiology/Virology
Purity
0.99713
Bioactivity
Azadirachtin has antifungal activity, used as an insecticide.
Smiles
[H][C@@]12OC=C[C@]1(O)[C@@H]1C[C@H](O2)[C@]2(O[C@@]12C)[C@]1(C)[C@H](O)[C@]2([H])OC[C@@]3([C@@H](C[C@H](OC(=O)C(\C)=C\C)[C@@]4(CO[C@](O)(C(=O)OC)[C@@]14[H])[C@@]23[H])OC(C)=O)C(=O)OC
Molecular Formula
C35H44O16
Molecular Weight
720.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Azadirachtin

Azadirachtin A is a member of the family of azadirachtins that is isolated from the neem tree (Azadirachta indica). It has a role as a hepatoprotective agent. It is a methyl ester, a tertiary alcohol, an epoxide, a secondary alcohol, an organic heterotetracyclic compound, an azadirachtin, an acetate ester, an enoate ester and a cyclic hemiketal.

CAS Number11141-17-6
PubChem CID5281303
IUPAC Namedimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate
Molecular FormulaC35H44O16
Molecular Weight720.7
XLogP-0.6
Topological Polar Surface Area215
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Heavy Atom Count51
Formal Charge0
Complexity1660
SMILES
C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@]([C@H]4[C@]([C@@H]3O)(C)[C@@]56[C@@H]7C[C@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C
InChI
InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1
InChIKey
FTNJWQUOZFUQQJ-NDAWSKJSSA-N
Chemical Structure
2D Structure
2D structure of Azadirachtin
CAS: 11141-17-6
CID: 5281303
Formula: C35H44O16
MW: 720.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight720.7
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Exact Mass720.26293531
Monoisotopic Mass720.26293531
Topological Polar Surface Area215 Ų
Heavy Atom Count51
Formal Charge0
Complexity1660
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA2849-5Azadirachtin
FA18055-01Azadirachtin A
TBZ0072Azadirachtin I
HY-133108-01Azadirachtin B
GTR19279240-01Azadirachtin H
GTR19279274-01Azadirachtin D

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