Name: Karavilagenin D
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT213885993
Cas No:934739-29-4
常用名:Karavilagenin D
IUPAC:(1R,4S,5S,8R,9R,12S,13S,16S)-16-hydroxy-8-[(2R,4E)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0^{1,13}.0^{4,12}.0^{5,9}]nonadec-2-en-19-one
IUPAC:(1R,4S,5S,8R,9R,12S,13S,16S)-16-hydroxy-8-[(2R,4E)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0^{1,13}.0^{4,12}.0^{5,9}]nonadec-2-en-19-one
InChI key:CUJVAMKVNDHSSR-DLGSBZDHSA-N

分子式:C30H46O4
分子量:470.694
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC(=O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C |c:15|
SMILES:C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC(=O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C |c:15|

Karavilagenin D exhibits inhibitory effects on skin-tumor promotion in an in vivo two-stage mouse skin carcinogenesis test based on 7,12-dimethylbenz[a]anthracene (DMBA) as initiator, and with TPA as a promoter. It exhibits inhibition effect against human cancer cell lines.

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