Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C15H22O2 |
Molecular Weight | 234.334 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H]1[C@H](O)CCC2=CC(=O)C(C[C@]12C)=C(C)C
InChI
InChIKey=TVDMUSYVWJLIDK-PSOPSSQASA-N
InChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,13,16H,5-6,8H2,1-4H3/t10-,13+,15+/m0/s1
Molecular Formula | C15H22O2 |
Molecular Weight | 234.334 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
DescriptionSources: doi:10.1016/0031-9422(83)80099-5Curator's Comment: description was created based on several sources, including:
doi:10.1016/S0040-4020(01)96317-3
http://www.acgpubs.org/RNP/2014/Volume8/Issue%201/21-RNP-1211-204.pdf
Sources: doi:10.1016/0031-9422(83)80099-5
Curator's Comment: description was created based on several sources, including:
doi:10.1016/S0040-4020(01)96317-3
http://www.acgpubs.org/RNP/2014/Volume8/Issue%201/21-RNP-1211-204.pdf
The components of several Petasites species have been investigated and shown to include petasin furanopetasin derivatives belonging to the eremophilane type of sesquiterpene, and bakkenolide derivatives. It has been reported that the petasin derivatives have spasmolytic properties and bakkenolide-A has cytotoxic activity. Natural is (+)-isopetasol. It was also isolated from the rhizomes of Ligularia fischeri grown in Henan province of China. Isopetasol derivatives with an unsaturated acid ester moiety will selectively inhibit RNA synthesis in the ascites tumor of mouse.
Originator
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:11:04 GMT 2023
by
admin
on
Sat Dec 16 11:11:04 GMT 2023
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Record UNII |
3612JYH60G
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Record Status |
Validated (UNII)
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Record Version |
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469-67-0
Created by
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11746594
Created by
admin on Sat Dec 16 11:11:04 GMT 2023 , Edited by admin on Sat Dec 16 11:11:04 GMT 2023
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3612JYH60G
Created by
admin on Sat Dec 16 11:11:04 GMT 2023 , Edited by admin on Sat Dec 16 11:11:04 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> CONSTITUENT ALWAYS PRESENT |
Petasin chemovar-Eremophilane
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