ANISATIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H20O8
Molecular Weight	328.3145
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1C[C@@H](O)[C@]2(O)[C@]3(COC3=O)[C@@](C)(O)[C@H]4C[C@@]12[C@@H](O)C(=O)O4

InChI

InChIKey=GEVWHIDSUOMVRI-QWNPAUMXSA-N

InChI=1S/C15H20O8/c1-6-3-7(16)15(21)13(6)4-8(23-10(18)9(13)17)12(2,20)14(15)5-22-11(14)19/h6-9,16-17,20-21H,3-5H2,1-2H3/t6-,7-,8-,9+,12+,13+,14+,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C15H20O8
Molecular Weight	328.3145
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Synthetic studies toward anisatin: a formal synthesis of (+/-)-8-deoxyanisatin.	2001 Jan 25	11430054
[An epidemic of epileptic seizures after consumption of herbal tea].	2002 Apr 27	12014242
Structure-activity relationships of seco-prezizaane terpenoids in gamma-aminobutyric acid receptors of houseflies and rats.	2002 Jun	11937345
Tea: not immoral, illegal, or fattening, but is it innocuous?	2002 Sep 14	12243952
Molecular mechanisms of toxicity of important food-borne phytotoxins.	2005 Feb	15635687
Combination of TLC and HPLC-MS/MS methods. Approach to a rational quality control of Chinese star anise.	2006 Mar 22	16536563
Henrylactones A-E and anti-HBV constituents from Illicium henryi.	2010 Feb	19670158
[Two new sesquiterpene lactones from the pericarp of Illicium macranthum].	2010 Mar	21351509
Naturally occurring food toxins.	2010 Sep	22069686

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:12:27 GMT 2023` Edited by `admin` on `Fri Dec 15 19:12:27 GMT 2023`
Record UNII	W9K8802FZL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANISATIN

Common Name

English

4A.BETA.,5,6A,7,8,9-HEXAHYDRO-1.ALPHA.,5.BETA.,6A.BETA.,7.BETA.-TETRAHYDROXY-5,9.ALPHA.-DIMETHYLSPIRO(6H-4,9A-METHANOCYCLOPENT(D)OXOCIN-6,3'-OXETANE)-2,2'(1H)-DIONE

Systematic Name

English

Code System Code Type Description

CAS

5230-87-5