NEOQUASSIN

Details

Stereochemistry	EPIMERIC
Molecular Formula	C22H30O6
Molecular Weight	390.47
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3([H])[C@H](C)C=C(OC)C(=O)[C@]3(C)[C@@]4([H])C(=O)C(OC)=C(C)[C@]([H])(CC(O)O1)[C@]24C

InChI

InChIKey=BDQNCUODBJZKIY-NUPPOKJBSA-N

InChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3/t10-,12+,13+,15-,16?,19+,21-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H30O6
Molecular Weight	390.47
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Inhibition of CYP1A1 by Quassinoids found in Picrasma excelsa.	2009 Feb	19016402
Quassinoid constituents of Quassia amara L. leaf herbal tea. Impact on its antimalarial activity and cytotoxicity.	2009 Oct 29	19665539

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:07:18 GMT 2023` Edited by `admin` on `Sat Dec 16 02:07:18 GMT 2023`
Record UNII	9MQ0P9426V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEOQUASSIN

Common Name

English

SIMALIKAHEMIACETAL A

Common Name

English

NEOQUASSINE

Common Name

English

NSC-139168

Code

English

NIGAKIHEMIACETAL B

Common Name

English

NEOQUASSIN [MI]

Common Name

English

PICRASA-2,12-DIENE-1,11-DIONE, 16-HYDROXY-2,12-DIMETHOXY-

Common Name

English

Code System Code Type Description

CAS

76-77-7