QUADRONE, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H20O3
Molecular Weight	248.3175
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12COC(=O)[C@@]3([H])CC[C@@]4([H])[C@]([H])(CC1=O)[C@@]23CC4(C)C

InChI

InChIKey=BBIDMUQZCCGABN-UXSWQMMLSA-N

InChI=1S/C15H20O3/c1-14(2)7-15-9-4-3-8(14)10(15)5-12(16)11(15)6-18-13(9)17/h8-11H,3-7H2,1-2H3/t8-,9+,10-,11+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H20O3
Molecular Weight	248.3175
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/627521

Quadrone was isolated from the culture broth of Aspergillus terreus. was active against KB cells in vitro, but did not possess antimicrobial activity.

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Cancer 592 Sources: https://www.ncbi.nlm.nih.gov/pubmed/627521	Primary		Basic research	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Quadrone, a new antitumor substance produced by Aspergillus terreus. Production, isolation and properties.	1978 Jan	627521

Sample Use Guides

In Vivo Use Guide

Quadrone was injected intraperitoneally in mice. Its LD50 was found to be greater than 340 mg/kg.

Route of Administration: Intraperitoneal

In Vitro Use Guide

The ED50 of quadrone in the KB cytotoxicity assay, determined by established methods, was 1.3 ug.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:18:11 GMT 2023` Edited by `admin` on `Sat Dec 16 08:18:11 GMT 2023`
Record UNII	0P4EB9PILJ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

QUADRONE, (+)-

Common Name

English

QUADRONE (+)-FORM [MI]

Common Name

English

NSC-284437

Code

English

6,8B-ETHANO-8BH-CYCLOPENTA(DE)-2-BENZOPYRAN-1,4-DIONE, OCTAHYDRO-10,10-DIMETHYL-, (3AR,5A.BETA.,6S,8AS,8BS)-

Systematic Name

English

6,8B-ETHANO-8BH-CYCLOPENTA(DE)-2-BENZOPYRAN-1,4-DIONE, OCTAHYDRO-10,10-DIMETHYL-, (3AR-(3A.ALPHA.,5A.BETA.,6.ALPHA.,8A.ALPHA.,8B.ALPHA.))-

Systematic Name

English

Code System Code Type Description

CAS

87480-01-1