Name: Methyl nomilinate
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HIT ID:HIT218832783
Cas No:
Common Name:Methyl nomilinate
IUPAC:methyl 3-(acetyloxy)-3-[11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.0^{1,14}.0^{2,7}]pentadecan-6-yl]propanoate
IUPAC:methyl 3-(acetyloxy)-3-[11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.0^{1,14}.0^{2,7}]pentadecan-6-yl]propanoate
InChIKey:CDPVCJRXJYQLCD-UHFFFAOYSA-N

Molecular Formula:C29H38O10
Molecular Weight:546.613
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:COC(=O)CC(OC(C)=O)C1(C)C(CC(=O)C2(C)C1CCC1(C)C(OC(=O)C3OC213)c1ccoc1)C(C)(C)O
SMILES:COC(=O)CC(OC(C)=O)C1(C)C(CC(=O)C2(C)C1CCC1(C)C(OC(=O)C3OC213)c1ccoc1)C(C)(C)O

Methyl nomilinate, derived from citrus, can modulate cell cycle regulators, thereby inducing cytotoxicity in human colon cancer (SW480) cells in vitro.

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