CHEBI:38471 - azadirachtin B

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ChEBI Name azadirachtin B
ChEBI ID CHEBI:38471
Definition A member of the class of azadirachtin found in the neem tree, Azadirachta indica.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:67300
Supplier Information
Download Molfile XML SDF
Formula C35H44O16
Net Charge 0
Average Mass 720.71426
Monoisotopic Mass 720.26294
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-UZTPERQESA-N
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@@H]2OC[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
Metabolite of Species Details
Azadirachta indica (NCBI:txid124943) Found in seed (BTO:0001226). Defatted MeOH extract of seeds See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via azadirachtin )
ecdysone agonist

(via azadirachtin )
Application(s): phytogenic insecticide
An insecticide compound naturally occurring in plants.
(via azadirachtin )
ecdysone agonist

(via azadirachtin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing azadirachtin B (CHEBI:38471) has role plant metabolite (CHEBI:76924)
azadirachtin B (CHEBI:38471) is a azadirachtin (CHEBI:38473)
azadirachtin B (CHEBI:38471) is a methyl ester (CHEBI:25248)
IUPAC Name
dimethyl (2aR,3S,4S,4aR,5S,7aS,8R,10R,10aS,10bR)-10-acetoxy-3,5-dihydroxy-4-[(1aR,2S,3aS,6aS,7S,7aS)-6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}octahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5,10a(8H)-dicarboxylate
Registry Numbers Types Sources
8182268 Reaxys Registry Number Reaxys
8182268 Beilstein Registry Number Beilstein
95507-03-2 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21381696 PubMed citation Europe PMC
Last Modified
06 March 2015