ISOALANTOLACTONE, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C15H20O2
Molecular Weight	232.3181
Optical Activity	( + / - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@]3(C)CCCC(=C)[C@]3([H])C[C@]1([H])C(=C)C(=O)O2

InChI

InChIKey=CVUANYCQTOGILD-QVHKTLOISA-N

InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C15H20O2
Molecular Weight	232.3181
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
NF-kappa B signaling pathway 84 Target ID: map04064 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25109871	Inhibitor 8297

PubMed

Title	Date	PubMed
Isoalantolactone inhibits constitutive NF-κB activation and induces reactive oxygen species-mediated apoptosis in osteosarcoma U2OS cells through mitochondrial dysfunction.	2014 Oct	25109871

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:15:21 GMT 2023` Edited by `admin` on `Sat Dec 16 18:15:21 GMT 2023`
Record UNII	QTF89ZHT7V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOALANTOLACTONE, (±)-

Common Name

English

EUDESMA-4(14),11(13)-DIEN-12-OIC ACID, 8.BETA.-HYDROXY-, .GAMMA.-LACTONE, (±)-

Common Name

English

REL-(3AR,4AS,8AR,9AR)-DECAHYDRO-8A-METHYL-3,5-BIS(METHYLENE)NAPHTHO(2,3-B)FURAN-2(3H)-ONE

Common Name

English

(±)-ISOALANTOLACTONE

Common Name

English

NAPHTHO(2,3-B)FURAN-2(3H)-ONE, DECAHYDRO-8A-METHYL-3,5-BIS(METHYLENE)-, (3AR,4AS,8AR,9AR)-REL-

Systematic Name

English

Code System Code Type Description

FDA UNII

QTF89ZHT7V

Created by admin on Sat Dec 16 18:15:21 GMT 2023 , Edited by admin on Sat Dec 16 18:15:21 GMT 2023

PRIMARY

CAS

107439-69-0

Created by admin on Sat Dec 16 18:15:21 GMT 2023 , Edited by admin on Sat Dec 16 18:15:21 GMT 2023

SUPERSEDED

CAS

4677-48-9

Created by admin on Sat Dec 16 18:15:21 GMT 2023 , Edited by admin on Sat Dec 16 18:15:21 GMT 2023

PRIMARY

PUBCHEM

73285

Created by admin on Sat Dec 16 18:15:21 GMT 2023 , Edited by admin on Sat Dec 16 18:15:21 GMT 2023

PRIMARY

Related Record Type Details


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ISOALANTOLACTONE

ENANTIOMER -> RACEMATE