acompound

Showing entry for Santamarin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0003507
Compound Name	Santamarin
Structure
Formula	C15H20O3
InchiKey	PLSSEPIRACGCBO-PFFFPCNUSA-N
SMILES	CC1=CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
Inchi	InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3/t10-,11+,12+,13-,15-/m0/s1
IUPAC	(3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,5aH,6H,7H,9aH,9bH-naphtho[1,2-b]furan-2-one
Molecular Weight	248.32
Pubchem Id	188297
Chembl Id	CHEMBL89311

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

n.a

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

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
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	IC100	'='	100	uM
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	IC100	'='	100	uM
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	IC100	'='	100	uM
Q00653	BXGT012541	Nuclear factor NF-kappa-B p100 subunit	reviewed	Transcription factor	NFKB2	IC100	'='	100	uM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00097	Sweet bay	Laurus nobilis	Herbs and Spices
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00927	Dolomiaea souliei	Dolomiaea souliei	Others
BXGF02526	Santalum album	Santalum album	Medicinal Plant
BXGF02811	Cyperus haspan	Cyperus haspan	Human Edible Plant
BXGF04109	Saussurea costus	Saussurea costus	Medicinal Plant
BXGF05324	Goniothalamus thwaitesii	Goniothalamus thwaitesii	Others
BXGF06288	Salvinia imbricata	Salvinia imbricata	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}