Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C30H36O9 |
Molecular Weight | 540.6014 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12C[C@@H](C3=COC=C3)C(C)=C1[C@@]4(C)[C@H](CC(=O)OC)[C@@]5(C)C(=O)C=C[C@@](C)(C(=O)OC)[C@]5([H])[C@@H](OC(C)=O)[C@@]4([H])O2
InChI
InChIKey=NHOIBRJOQAYBJT-IMGVWCFESA-N
InChI=1S/C30H36O9/c1-15-18(17-9-11-37-14-17)12-19-23(15)30(5)20(13-22(33)35-6)29(4)21(32)8-10-28(3,27(34)36-7)25(29)24(26(30)39-19)38-16(2)31/h8-11,14,18-20,24-26H,12-13H2,1-7H3/t18-,19-,20-,24-,25+,26-,28-,29+,30-/m1/s1
Nimbin is the active compound from the neem leaf extract which is now being tested in silico as a potential remedy against tuberculosis and dengue virus. Recent studies have shown that the drug interacts with NS2B-NS3 protease from dengue virus and fatty acid synthase of Mycobacterium tuberculosis. Nimbin can also be used as a pesticide.
CNS Activity
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL5980 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27353586 |
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Target ID: CHEMBL2011 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18282003 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
Sample Use Guides
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/8622560
NlE-115, 143B. TK- and Sf9 cells were exposed for 24 hr to serial dilutions of Nimbin up to 200 uM to test the drug cytotoxicity.
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5945-86-8
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Nimbin (chemical)
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DTXSID80208168
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N4CTG7K9IU
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108058
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m7901
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admin on Sat Dec 16 08:20:13 GMT 2023 , Edited by admin on Sat Dec 16 08:20:13 GMT 2023
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PRIMARY | Merck Index |
SUBSTANCE RECORD