Isophysalin A | CAS 1363398-67-7 | AnyMole

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HIT214315975

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HIT214315975

HIT ID:HIT214315975
Cas No:1363398-67-7
常用名:Isophysalin A
IUPAC:(1S,2S,3S,5R,6S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.1^{2,5}.0^{3,18}.0^{3,21}.0^{6,15}.0^{9,14}]heptacosa-8,10-diene-13,19,24,27-tetrone
IUPAC:(1S,2S,3S,5R,6S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.1^{2,5}.0^{3,18}.0^{3,21}.0^{6,15}.0^{9,14}]heptacosa-8,10-diene-13,19,24,27-tetrone
InChI key:QACVUYYDSXFEJW-LNIDBCJNSA-N

分子式:C28H30O10
分子量:526.538
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C(=O)[C@]3(O)O[C@@]11[C@@](C)(OC(=O)[C@@]1(O)CC[C@@]1([H])[C@@]3([H])[C@H](O)C=C3C=CCC(=O)[C@]13C)[C@H]1C[C@]2(C)C(=C)C(=O)O1 |c:28,t:26|
SMILES:[H][C@@]12C(=O)[C@]3(O)O[C@@]11[C@@](C)(OC(=O)[C@@]1(O)CC[C@@]1([H])[C@@]3([H])[C@H](O)C=C3C=CCC(=O)[C@]13C)[C@H]1C[C@]2(C)C(=C)C(=O)O1 |c:28,t:26|

Isophysalin A exhibits anti-inflammatory activitiy, it exhibits conjugating abilities with glutathione and also shows significant nitric oxide (NO) production inhibiting activities.

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