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

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	MOL RATIO 1 MOL RATIO (average)

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

Description

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

Conditions

Condition	Modality	Targets	Highest Phase	Product
Cancer 592	Primary		Basic research	Unknown

PubMed

PubMed

Title	Date	PubMed
No data available in table

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
Record UNII	0P4EB9PILJ
Record Status	`Validated (UNII)`
Record Version

Show entries

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

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Code System

Code

Type

Description

CAS

87480-01-1

PRIMARY

MERCK INDEX

m9409

PRIMARY

Merck Index

FDA UNII

0P4EB9PILJ

PRIMARY

PUBCHEM

442299

PRIMARY

NSC

284437

PRIMARY

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Related Record

Type

Details


					498881H35R

QUADRONE, (±)-

RACEMATE -> ENANTIOMER

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SMILES

InChI

Description<div class="info-popup-container"><div><span class="pop-sub-key ">Sources:&nbsp;</span><span class="pop-sub-val"><span class="ext-link"><a target="_self" href="https://www.ncbi.nlm.nih.gov/pubmed/627521">https://www.ncbi.nlm.nih.gov/pubmed/627521</a></span></span></div></div>

Originator

Approval Year

Conditions

PubMed

Sample Use Guides

Description