acompound

Showing entry for liriodendrin

General Compound Information
BXGC Id	BXGC0047613
Compound Name	liriodendrin
Structure
Formula	C34H46O18
InchiKey	FFDULTAFAQRACT-XKBSQSBASA-N
SMILES	OC[C@H]1O[C@@H](Oc2c(OC)cc(cc2OC)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(c(c2)OC)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16-,21+,22+,23+,24+,25-,26-,
IUPAC	(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	742.27
Pubchem Id	21603207
Chembl Id	CHEMBL445823

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

CHEMBL445823

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
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	IC50	'>'	200	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00198	Adzuki bean	Vigna angularis	Pulses
BXGF00201	Climbing bean	Vigna umbellata	Pulses
BXGF00301	Cherimoya	Annona cherimola	Fruits
BXGF01060	Baccharis grandicapitulata	Baccharis grandicapitulata	Others
BXGF01079	Renealmia alpinia	Renealmia alpinia	Human Edible Plant
BXGF01207	Morella pensylvanica	Morella pensylvanica	Others
BXGF01260	Eleutherococcus senticosus	Eleutherococcus senticosus	Medicinal Plant
BXGF01276	Delphinium giraldii	Delphinium giraldii	Medicinal Plant
BXGF01337	Stellaria media	Stellaria media	Medicinal Plant
BXGF01359	Daphne feddei	Daphne feddei	Others
BXGF01493	Curcuma aeruginosa	Curcuma aeruginosa	Medicinal Plant
BXGF01603	Piper brachystachyum	Piper brachystachyum	Medicinal Plant
BXGF01688	Tephroseris kirilowii	Tephroseris kirilowii	Medicinal Plant
BXGF01967	Senecio congestus	Senecio congestus	Medicinal Plant
BXGF02124	Papaver pseudocanescens	Papaver pseudocanescens	Others
BXGF02220	Rhodiola rosea	Rhodiola rosea	Medicinal Plant
BXGF02242	Sideritis dasygnaphala	Sideritis dasygnaphala	Others
BXGF02382	Gutierrezia dracunculoides	Gutierrezia dracunculoides	Others
BXGF02423	Psidium acutangulum	Psidium acutangulum	Human Edible Plant
BXGF02440	Beesia calthifolia	Beesia calthifolia	Others
BXGF02483	Bursera kerberi	Bursera kerberi	Others
BXGF02514	Helenium integrifolium	Helenium integrifolium	Others
BXGF02543	Rhododendron mucronulatum	Rhododendron mucronulatum	Medicinal Plant
BXGF02570	Euonymus fortunei	Euonymus fortunei	Medicinal Plant
BXGF02613	Phlomis crinita	Phlomis crinita	Medicinal Plant
BXGF02642	Vigna umbeuata	Vigna umbeuata	Others
BXGF02665	Crotalaria stolzii	Crotalaria stolzii	Others
BXGF02682	Selinum libanotis	Selinum libanotis	Others
BXGF02718	Melampodium leucanthum	Melampodium leucanthum	Others
BXGF02734	Clerodendrum trichotomum	Clerodendrum trichotomum	Medicinal Plant
BXGF02750	Juniperus scopulorum	Juniperus scopulorum	Medicinal Plant
BXGF02785	Clinacanthus nutans	Clinacanthus nutans	Medicinal Plant
BXGF02827	Alstonia angustiloba	Alstonia angustiloba	Others
BXGF02840	Lasianthaea podocephala	Lasianthaea podocephala	Others
BXGF02855	Eucalyptus albens	Eucalyptus albens	Others
BXGF02908	Pellacalyx axillaris	Pellacalyx axillaris	Others
BXGF02950	Boschniakia rossica	Boschniakia rossica	Medicinal Plant
BXGF03063	Gentiana straminea	Gentiana straminea	Medicinal Plant
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	Medicinal Plant
BXGF03207	Kalopanax septemlobus	Kalopanax septemlobus	Medicinal Plant
BXGF03432	Chrysanthemum indicum	Chrysanthemum indicum	Medicinal Plant
BXGF03516	Gentiana macrophylla	Gentiana macrophylla	Medicinal Plant
BXGF03817	Coffea liberica var. dewevrei	Coffea liberica var. dewevrei	Medicinal Plant
BXGF04011	Botrychium ternatum	Botrychium ternatum	Medicinal Plant
BXGF04357	Gentiana dahurica	Gentiana dahurica	Medicinal Plant
BXGF04902	Lupinus cosentinii	Lupinus cosentinii	Others
BXGF05036	ducrosia ismaelis	ducrosia ismaelis	Others
BXGF05124	Gentiana crassicaulis	Gentiana crassicaulis	Medicinal Plant
BXGF05318	Hedysarum gmelini	Hedysarum gmelini	Others
BXGF05465	Euploca racemosa	Euploca racemosa	Others
BXGF06271	Artemisia pectinata	Artemisia pectinata	Others
BXGF06307	Zephyranthes flava	Zephyranthes flava	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}