7,8-Didehydrocimigenol | CAS 150972-72-8 | AnyMole

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HIT214315653

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HIT214315653

HIT ID:HIT214315653
Cas No:150972-72-8
常用名:7,8-Didehydrocimigenol
IUPAC:(1S,2R,3R,7R,9S,12R,14R,17R,18R,19R,21R,22S)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0^{1,18}.0^{3,17}.0^{4,14}.0^{7,12}.0^{12,14}]tetracos-4-ene-2,9-diol
IUPAC:(1S,2R,3R,7R,9S,12R,14R,17R,18R,19R,21R,22S)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0^{1,18}.0^{3,17}.0^{4,14}.0^{7,12}.0^{12,14}]tetracos-4-ene-2,9-diol
InChI key:VFWGQUZLHBLDFF-OSIIPQMASA-N

分子式:C30H46O5
分子量:486.693
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@H](C)C[C@H]3O[C@@]1(O[C@@H]3C(C)(C)O)[C@H](O)[C@@]1(C)C3=CC[C@]4([H])[C@]5(C[C@@]35CC[C@]21C)CC[C@H](O)C4(C)C |t:20|
SMILES:[H][C@]12[C@H](C)C[C@H]3O[C@@]1(O[C@@H]3C(C)(C)O)[C@H](O)[C@@]1(C)C3=CC[C@]4([H])[C@]5(C[C@@]35CC[C@]21C)CC[C@H](O)C4(C)C |t:20|

7,8-Didehydrocimigenol can be used for the treatment of cardiovascular disorders such as atherosclerosis. It upregulates PPAR-γ in EC inhibits NF-kB activity of TNF-α-activated EC which leads to selective inhibition of VCAM-1 expression.

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