23-deoxojessic acid | CAS 215609-93-1 | AnyMole

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HIT214315550

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HIT214315550

HIT ID:HIT214315550
Cas No:215609-93-1
常用名:23-deoxojessic acid
IUPAC:(1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4,6-dihydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-7-carboxylic acid
IUPAC:(1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4,6-dihydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-7-carboxylic acid
InChI key:JAIDDVHUAQNJDH-AWYYEBERSA-N

分子式:C31H50O4
分子量:486.737
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)[C@@H](O)C[C@H](O)[C@@]4(C)C(O)=O)[C@H](C)CCC(=C)C(C)C
SMILES:[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)[C@@H](O)C[C@H](O)[C@@]4(C)C(O)=O)[C@H](C)CCC(=C)C(C)C

23-Deoxojessic acid possesses strong cytotoxicity towards highly liver metastatic murine colon 26-L5 carcinoma cells, with ED50 values equal to or less than 6 microM.

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TargetMolSC
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¥ 3,560.00
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AnyMoleSC
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¥ 3,750.00
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