XANTHATIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H18O3
Molecular Weight	246.3016
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

SMILES

C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1\C=C\C(C)=O

InChI

InChIKey=RBRPTFMVULVGIC-ZTIIIDENSA-N

InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14-/m0/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary Target	Pharmacology	Potency
Tyrosine-protein kinase JAK2 59	Inhibitor 8,504	4.1 µM [IC50]
Inhibitor of nuclear factor kappa B kinase beta subunit 16	Inhibitor 8,504	11.3 µM [IC50]
Vascular endothelial growth factor receptor 2 112	Inhibitor 8,504	3.8 µM [IC50]

PubMed

PubMed

Show entries

Title	Date	PubMed
(-)-Xanthatin induces the prolonged expression of c-Fos through an N-acetyl-L-cysteine (NAC)-sensitive mechanism in human breast cancer MDA-MB-231 cells.	2013	23824011

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Name

Type

Language

XANTHATIN

Common Name

English

(-)-XANTHATIN

Preferred Name

English

XANTHATIN, (-)-

Common Name

English

XANTHATIN [MI]

Common Name

English

2H-CYCLOHEPTA(B)FURAN-2-ONE, 3,3A,4,7,8,8A-HEXAHYDRO-7-METHYL-3-METHYLENE-6-((1E)-3-OXO-1-BUTEN-1-YL)-, (3AR,7S,8AS)-

Systematic Name

English

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Code System

Code

Type

Description

PUBCHEM

5281511

PRIMARY

CAS

26791-73-1

PRIMARY

FDA UNII

298X1N12LS

PRIMARY

EPA CompTox

DTXSID001317668

PRIMARY

MERCK INDEX

m11526

PRIMARY

Merck Index

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ACTIVE MOIETY


					298X1N12LS

XANTHATIN