acompound

Showing entry for Mexicanin I

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025342
Compound Name	Mexicanin I
Structure
Formula	C15H18O4
InchiKey	ZVLOPMNVFLSSAA-UEIZXJDVSA-N
SMILES	C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)[C@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C
Inchi	InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10+,12-,13-,15+/m1/s1
IUPAC	(3aS,5R,5aR,8aR,9R,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
Molecular Weight	262.12
Pubchem Id	93016
Chembl Id	CHEMBL486996

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT005729	Transcriptional activator Myb	reviewed		MYB	-	1795	-	-
reviewed	BXGT005729	Transcriptional activator Myb	reviewed		MYB	-	1800	-	-

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P01103	BXGT005729	Transcriptional activator Myb	reviewed	-	MYB	IC50	'='	1800	nM
P01103	BXGT005729	Transcriptional activator Myb	reviewed	-	MYB	IC50	'='	1794	nM
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	IC100	'='	20	uM
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	IC100	'='	20	uM
Q00653	BXGT012541	Nuclear factor NF-kappa-B p100 subunit	reviewed	Transcription factor	NFKB2	IC100	'='	20	uM
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	IC100	'='	20	uM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04192	Helenium autumnale	Helenium autumnale	Medicinal Plant
BXGF05070	Asteraceae	Asteraceae	Others

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}