acompound

General Compound Information
BXGC Id	BXGC0029185
Compound Name	Alphitolic Acid
Structure
Formula	C30H48O4
InchiKey	PFCVZKFJHRCLCC-PGOIBATFSA-N
SMILES	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)C[C@@H](O)[C@@H](C1(C)C)O)C(=O)O
Inchi	InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1
IUPAC	(1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-9,10-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Molecular Weight	472.36
Pubchem Id	12305768
Chembl Id	CHEMBL511805

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	BXGT006731	Zinc finger protein GLI1	reviewed		GLI1	-	42000	-	-

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
P08151	BXGT006731	Zinc finger protein GLI1	reviewed	-	GLI1	IC50	'='	42000	nM
P08151	BXGT006731	Zinc finger protein GLI1	reviewed	-	GLI1	Activity	-	-	-
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	IC50	'='	8700	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01439	Xylosalsola richteri	Xylosalsola richteri	Others
BXGF01651	Pedicularis plicata	Pedicularis plicata	Others
BXGF01735	Sonchus gummifer	Sonchus gummifer	Others
BXGF02020	Stephania hispidula	Stephania hispidula	Others
BXGF02168	Micranthes stellaris	Micranthes stellaris	Others
BXGF02304	Rabdosia flexicaulis	Rabdosia flexicaulis	Others
BXGF02355	Baccharis sarothroides	Baccharis sarothroides	Others
BXGF02458	Ipomoea hederacea	Ipomoea hederacea	Medicinal Plant
BXGF02535	Andropogon laniger	Andropogon laniger	Medicinal Plant
BXGF02705	Capparis flavicans	Capparis flavicans	Human Edible Plant
BXGF02743	Malus sieboldii	Malus sieboldii	Medicinal Plant
BXGF02835	Oxytropis pseudoglandulosa	Oxytropis pseudoglandulosa	Others
BXGF03373	Orthocaulis attenuatus	Orthocaulis attenuatus	Others
BXGF04043	Blitum virgatum	Blitum virgatum	Others
BXGF04138	Breynia fruticosa	Breynia fruticosa	Human Edible Plant
BXGF04174	Scabiosa pyrenaica	Scabiosa pyrenaica	Others
BXGF04316	Barbarea verna	Barbarea verna	Medicinal Plant
BXGF04988	Xyris semifuscata	Xyris semifuscata	Others
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	Medicinal Plant
BXGF05998	Vaccaria hispanica	Vaccaria hispanica	Medicinal Plant

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}