Meleagrin | CAS 71751-77-4 | AnyMole

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HIT212038995

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HIT212038995

HIT ID:HIT212038995
Cas No:71751-77-4
常用名:Meleagrin
IUPAC:(1S,9R,14E)-11-hydroxy-14-[(1H-imidazol-5-yl)methylidene]-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0^{1,13}.0^{3,8}]hexadeca-3,5,7,10-tetraene-12,15-dione
IUPAC:(1S,9R,14E)-11-hydroxy-14-[(1H-imidazol-5-yl)methylidene]-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0^{1,13}.0^{3,8}]hexadeca-3,5,7,10-tetraene-12,15-dione
InChI key:JTJJJLSLKZFEPJ-ZAYCRUKZSA-N

分子式:C23H23N5O4
分子量:433.468
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:1.655055
SMILES:CON1c2ccccc2[C@@]2(C=C(O)C(=O)N3\C(=C\c4cnc[nH]4)C(=O)N[C@@]123)C(C)(C)C=C |t:11|
SMILES:CON1c2ccccc2[C@@]2(C=C(O)C(=O)N3\C(=C\c4cnc[nH]4)C(=O)N[C@@]123)C(C)(C)C=C |t:11|

Meleagrin, a roquefortine C-derived alkaloid produced by Penicillium fungi, serves as both a class of FabI inhibitors and a lead c-Met inhibitory entity for controlling c-Met-dependent metastatic and invasive breast malignancies. It exhibits antimicrobial and anti-proliferative activities.

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TargetMolSC
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4-6周
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