acompound

Showing entry for n.a

General Compound Information
BXGC Id	BXGC0032372
Compound Name	n.a
Structure
Formula	C42H64O14
InchiKey	CWDHKGKLSUVPHS-RSPVUSMQSA-N
SMILES	CO[C@H]1C[C@@H](O[C@@H]([C@H]1O[C@H]1C[C@H](OC)[C@@H]([C@@H](O1)C)O[C@H]1C[C@H](OC)[C@@H]([C@H](O1)C)O)C)O[C@@H]1CC2=CC[C@@H]3[C@@H]([C@]2(C[C@H]1O)C)CC[C@](C3=O)(C)C1=CC(=O)O[C@H]1C
Inchi	InChI=1S/C42H64O14/c1-20-27(15-33(44)50-20)41(5)13-12-26-25(40(41)46)11-10-24-14-29(28(43)19-42(24,26)6)54-34-17-31(48-8)38(22(3)52-34)56-36-18-32(49-9)39(23(4)53-36)55-35-16-30(47-7)37(45)21(2)51-35/h10,15,20-23,25-26,28-32,34-39,43,45H,11-14,16-19H2,1-9
IUPAC	(2S)-3-[(2R,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-2,4b-dimethyl-1-oxo-4,4a,5,6,7,8,10,10a-octahydro-3H-phe
Molecular Weight	792.43
Pubchem Id	25232020
Chembl Id	CHEMBL4202774

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

CHEMBL4202774

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
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00877	Tripteris microcarpa	Tripteris microcarpa	Others
BXGF01234	Cylindropuntia leptocaulis	Cylindropuntia leptocaulis	Human Edible Plant
BXGF04003	Maackia floribunda	Maackia floribunda	Others
BXGF04495	Trichilia catigua	Trichilia catigua	Medicinal Plant
BXGF04512	Philadelphus coronarius	Philadelphus coronarius	Garden Plant
BXGF04517	Pterocarpus macrocarpus	Pterocarpus macrocarpus	Medicinal Plant
BXGF04520	Meliosma wightii	Meliosma wightii	Others
BXGF04525	Simaba cuneata	Simaba cuneata	Human Edible Plant
BXGF04545	Thalictrum podocarpum	Thalictrum podocarpum	Others
BXGF04572	Polygala fruticosa	Polygala fruticosa	Medicinal Plant
BXGF04582	Huperzia selago	Huperzia selago	Medicinal Plant
BXGF04593	Kielmeyera rubriflora	Kielmeyera rubriflora	Others
BXGF04613	Turbina corymbosa	Turbina corymbosa	Medicinal Plant
BXGF04615	Sorbaria arborea	Sorbaria arborea	Others
BXGF04620	Scandix pecten-veneris	Scandix pecten-veneris	Medicinal Plant
BXGF04625	Syzygium levinei	Syzygium levinei	Others
BXGF04632	Corydalis pallida	Corydalis pallida	Medicinal Plant
BXGF04644	Chasmanthera dependens	Chasmanthera dependens	Medicinal Plant
BXGF04654	Senecio miser	Senecio miser	Others
BXGF04658	Larix lyallii	Larix lyallii	Medicinal Plant
BXGF04662	Crepis czerepanovii	Crepis czerepanovii	Others
BXGF04666	Campanula hypopolia	Campanula hypopolia	Others
BXGF04673	Hymenoxys grandiflora	Hymenoxys grandiflora	Others
BXGF04678	Urginea riparia	Urginea riparia	Others
BXGF04691	Oroxylum indicum	Oroxylum indicum	Medicinal Plant
BXGF04694	Pteris pedata	Pteris pedata	Others
BXGF04706	Othonna tagetes	Othonna tagetes	Others
BXGF04710	Agave cocui	Agave cocui	Others
BXGF04793	Vincetoxicum atratum	Vincetoxicum atratum	Medicinal Plant
BXGF06182	Ventilago madraspatana	Ventilago madraspatana	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}