ALOESONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H12O4
Molecular Weight	232.232
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CC(=O)CC1=CC(=O)C2=C(O1)C=C(O)C=C2C

InChI

InChIKey=JHELBXAAAYUKCT-UHFFFAOYSA-N

InChI=1S/C13H12O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,15H,4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H12O4
Molecular Weight	232.232
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Show entries

Title	Date	PubMed
The first plant type III polyketide synthase that catalyzes formation of aromatic heptaketide.	2004 Mar 26	15044020
Identification of candidate genes affecting Delta9-tetrahydrocannabinol biosynthesis in Cannabis sativa.	2009	19581347
Novel type III polyketide synthases from Aloe arborescens.	2009 Apr	19348024
Alkylresorcinol synthases expressed in Sorghum bicolor root hairs play an essential role in the biosynthesis of the allelopathic benzoquinone sorgoleone.	2010 Mar	20348430
In silicio expression analysis of PKS genes isolated from Cannabis sativa L.	2010 Oct	21637580

Showing 1 to 5 of 5 entries

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Substance Class	Chemical
Record UNII	5O7KO4M2YY
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

ALOESONE

Common Name

English

4H-1-BENZOPYRAN-4-ONE, 7-HYDROXY-5-METHYL-2-(2-OXOPROPYL)-

Preferred Name

English

Showing 1 to 2 of 2 entries

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Show entries

Code System

Code

Type

Description

EPA CompTox

DTXSID20193721

PRIMARY

FDA UNII

5O7KO4M2YY

PRIMARY

PUBCHEM

5317700

PRIMARY

CAS

40738-40-7

PRIMARY

Showing 1 to 4 of 4 entries

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