SHYOBUNONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H24O
Molecular Weight	220.3505
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@@H]1CC[C@@](C)(C=C)[C@H](C(C)=C)C1=O

InChI

InChIKey=GWHRSRIPLDHJHR-GZBFAFLISA-N

InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3/t12-,13+,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H24O
Molecular Weight	220.3505
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:12:03 UTC 2023` Edited by `admin` on `Sat Dec 16 18:12:03 UTC 2023`
Record UNII	92NQU4WN5A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SHYOBUNONE

Common Name

English

(2S,3S,6S)-3-ETHENYL-3-METHYL-2-(1-METHYLETHENYL)-6-(1-METHYLETHYL)CYCLOHEXANONE

Systematic Name

English

P-MENTHAN-3-ONE, 2-ISOPROPENYL-1-VINYL-, (1S,2R,4S)-

Systematic Name

English

CYCLOHEXANONE, 3-ETHENYL-3-METHYL-2-(1-METHYLETHENYL)-6-(1-METHYLETHYL)-, (2S,3S,6S)-

Systematic Name

English

SHYOBUNON

Common Name

English

CYCLOHEXANONE, 3-ETHENYL-3-METHYL-2-(1-METHYLETHENYL)-6-(1-METHYLETHYL)-, (2S-(2.ALPHA.,3.BETA.,6.ALPHA.))-

Systematic Name

English

Code System Code Type Description

CAS

21698-44-2

Created by admin on Sat Dec 16 18:12:03 UTC 2023 , Edited by admin on Sat Dec 16 18:12:03 UTC 2023

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EPA CompTox

DTXSID401019945

Created by admin on Sat Dec 16 18:12:03 UTC 2023 , Edited by admin on Sat Dec 16 18:12:03 UTC 2023

PRIMARY

PUBCHEM

5321293

Created by admin on Sat Dec 16 18:12:03 UTC 2023 , Edited by admin on Sat Dec 16 18:12:03 UTC 2023

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FDA UNII

92NQU4WN5A

Created by admin on Sat Dec 16 18:12:03 UTC 2023 , Edited by admin on Sat Dec 16 18:12:03 UTC 2023

PRIMARY

Related Record Type Details


					XY1K7KIQ0F

ACORUS CALAMUS ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

In view of the toxic properties documented for the oil and associated with beta-asarone , it has been recommended that only beta-asarone-free calamus root should be used in phytotherapy.

Amount: