Name: Myriceric acid C
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213886062
Cas No:162059-94-1
常用名:Myriceric acid C
IUPAC:(4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-6a-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
IUPAC:(4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-6a-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
InChI key:OQOHHYHCCUJBHE-HQEPTUIISA-N

分子式:C48H60O10
分子量:796.998
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1(C)CC[C@@]2(CC[C@]3(COC(=O)\C=C\c4ccc(O)c(O)c4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |c:24|
SMILES:CC1(C)CC[C@@]2(CC[C@]3(COC(=O)\C=C\c4ccc(O)c(O)c4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |c:24|

Myriceric acid C has cytotoxic activity against human lung carcinoma and breast carcinoma.

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