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Chemical structure of Nimbolide

GC19843

Nimbolide

Also known as methyl 2-[6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate

Nimbolide is a triterpene derived from the leaves and flowers of Azadirachta indica L· Nimbolide inhibits NF- κ B induces tumor cell apoptosis· Nimbolide inhibited CDK4 / Cdk6 kinase activity· Nimbolide inhibits NF- κ B· Wnt, PI3K Akt, MAPK and JAK-STAT signaling pathways

ChemicalCAS25990-37-8MW466.52FormulaC₂₇H₃₀O₇
CAS number
25990-37-8
Molecular weight
466.52
Formula
C₂₇H₃₀O₇
InChIKey
JZIQWNPPBKFOPT-UHFFFAOYSA-N
Catalogue number
GC19843
Brand
GLPBIO
Computed properties PubChem CID 100017 · XLogP 2.2 · TPSA 92 Ų · H-bond donors 0
XLogP
2.2
TPSA
92 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
34

SMILES CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C6C4OC(=O)C6(C=CC5=O)C)C)CC(=O)OC)C

Computed descriptors from PubChem (CID 100017), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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