acompound

Showing entry for Obtusifoliol

General Compound Information
BXGC Id	BXGC0003114
Compound Name	Obtusifoliol
Structure
Formula	C30H50O
InchiKey	MMNYKQIDRZNIKT-VSADUBDNSA-N
SMILES	CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3
Inchi	InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h19,21-24,27,31H,3,9-18H2,1-2,4-8H3/t21-,22+,23-,24+,27+,28+,29-,30+/m1/s1
IUPAC	11-(hydroxymethyl)-2,6,6,15-tetramethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.02,?.011,1?]heptadec-1(10)-en-5-ol
Molecular Weight	426.72
Pubchem Id	65252
Chembl Id	CHEMBL481434

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

DVE

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
Q7Z1V1	BXGT017245	Sterol 14-alpha demethylase	reviewed	CYP51	-	-	-	-	-

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

CHEMBL481434

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

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00052	Watermelon	Citrullus lanatus	Gourds
BXGF00059	Arabica coffee	Coffea arabica	Coffee and coffee products
BXGF00062	Common hazelnut	Corylus avellana	Nuts
BXGF00065	Cucumber	Cucumis sativus	Gourds
BXGF00085	Soy bean	Glycine max	Soy
BXGF00087	Sea-buckthornberry	Hippophae rhamnoides	Fruits
BXGF00120	Evening primrose	Oenothera biennis	Herbs and Spices
BXGF00134	Common bean	Phaseolus vulgaris	Pulses
BXGF00170	Sesame	Sesamum orientale	Herbs and Spices
BXGF00173	Garden tomato (var.)	Solanum lycopersicum var. lycopersicum	Vegetables
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00400	French plantain	Musa X paradisiaca	Fruits
BXGF00829	Green bell pepper	Capsicum annuum	Vegetables
BXGF00830	Yellow bell pepper	Capsicum annuum	Vegetables
BXGF00831	Orange bell pepper	Capsicum annuum	Vegetables
BXGF00832	Red bell pepper	Capsicum annuum	Vegetables
BXGF01279	Coleostephus myconis	Coleostephus myconis	Medicinal Plant
BXGF01505	Gynostemma pentaphyllum	Gynostemma pentaphyllum	Medicinal Plant
BXGF02166	Niphogeton ternata	Niphogeton ternata	Others
BXGF02276	Synotis alata	Synotis alata	Others
BXGF02672	Papaver commutatum	Papaver commutatum	Medicinal Plant
BXGF04170	Dryopteris sacrosancta	Dryopteris sacrosancta	Medicinal Plant
BXGF04184	Eleusine indica	Eleusine indica	Medicinal Plant
BXGF04226	Lemna trisulca	Lemna trisulca	Others
BXGF04265	Rubus koehneanus	Rubus koehneanus	Others
BXGF04277	Caesalpinia pulcherrima	Caesalpinia pulcherrima	Medicinal Plant
BXGF04286	Heimia salicifolia	Heimia salicifolia	Medicinal Plant
BXGF04317	Microlepia speluncae	Microlepia speluncae	Medicinal Plant
BXGF04331	Narcissus asturiensis	Narcissus asturiensis	Others
BXGF04336	Astragalus interpositus	Astragalus interpositus	Others
BXGF04792	Scutellaria orientalis	Scutellaria orientalis	Medicinal Plant
BXGF05250	Tripteris vaillantii	Tripteris vaillantii	Medicinal Plant
BXGF06171	Dahlia pinnata	Dahlia pinnata	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}