acompound

Showing entry for Desoxypodophyllotoxin

General Compound Information
BXGC Id	BXGC0051114
Compound Name	Desoxypodophyllotoxin
Structure
Formula	C22H22O7
InchiKey	ZGLXUQQMLLIKAN-SVIJTADQSA-N
SMILES	COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2
Inchi	InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1
IUPAC	(5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Molecular Weight	398.14
Pubchem Id	345501
Chembl Id	CHEMBL63970

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

CHEMBL63970

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
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Vmax	'='	1	nmol/min
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Vmax/Km	'='	0	/nM.min
P00860	BXGT005675	Ornithine decarboxylase	reviewed	-	Odc1	Activity	'<'	0	uM
Q9BUF5	BXGT020135	Tubulin beta-6 chain	reviewed	Cellular structure	TUBB6	IC50	'='	2400	nM
Q9BVA1	BXGT020142	Tubulin beta-2B chain	reviewed	-	TUBB2B	IC50	'='	2400	nM
Q13885	BXGT013400	Tubulin beta-2A chain	reviewed	Cellular structure	TUBB2A	IC50	'='	2400	nM
Q6PEY2	BXGT016465	Tubulin alpha-3E chain	reviewed	Cellular structure	TUBA3E	IC50	'='	2400	nM
Q9BQE3	BXGT020109	Tubulin alpha-1C chain	reviewed	Cellular structure	TUBA1C	IC50	'='	2400	nM
P68363	BXGT011594	Tubulin alpha-1B chain	reviewed	Cellular structure	TUBA1B	IC50	'='	2400	nM
P07437	BXGT006624	Tubulin beta chain	reviewed	Cellular structure	TUBB	IC50	'='	2400	nM
Q3ZCM7	BXGT014551	Tubulin beta-8 chain	reviewed	-	TUBB8	IC50	'='	2400	nM
P04350	BXGT006193	Tubulin beta-4A chain	reviewed	Cellular structure	TUBB4A	IC50	'='	2400	nM
Q71U36	BXGT016705	Tubulin alpha-1A chain	reviewed	Cellular structure	TUBA1A	IC50	'='	2400	nM
Q13509	BXGT013366	Tubulin beta-3 chain	reviewed	Cellular structure	TUBB3	IC50	'='	2400	nM
P68366	BXGT011595	Tubulin alpha-4A chain	reviewed	Cellular structure	TUBA4A	IC50	'='	2400	nM
P0DPH7	BXGT007527	Tubulin alpha-3C chain	reviewed	-	TUBA3C	IC50	'='	2400	nM
Q9H4B7	BXGT020475	Tubulin beta-1 chain	reviewed	Cellular structure	TUBB1	IC50	'='	2400	nM
P68371	BXGT011597	Tubulin beta-4B chain	reviewed	Cellular structure	TUBB4B	IC50	'='	2400	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Km	'='	1930	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00514	Ostrich fern	Matteuccia struthiopteris	Vegetables
BXGF00985	Tabebuia rosea	Tabebuia rosea	Human Edible Plant
BXGF01019	Sinopodophyllum hexandrum	Sinopodophyllum hexandrum	Medicinal Plant
BXGF01197	Lathyrus macrorrhizus	Lathyrus macrorrhizus	Others
BXGF01300	Escallonia philippiana	Escallonia philippiana	Others
BXGF01478	Bursera fagaroides	Bursera fagaroides	Medicinal Plant
BXGF01482	Aglaia meridionalis	Aglaia meridionalis	Others
BXGF01607	Arcangelisia gusanlung	Arcangelisia gusanlung	Human Edible Plant
BXGF01650	Hippocratea indica	Hippocratea indica	Others
BXGF01897	Sinopodophyllum emodi	Sinopodophyllum emodi	Others
BXGF02019	Entandrophragma cylindricum	Entandrophragma cylindricum	Others
BXGF02080	Tanacetum santolina	Tanacetum santolina	Others
BXGF02113	Anthriscus sylvestris	Anthriscus sylvestris	Medicinal Plant
BXGF02181	Peltophorum dasyrhachis	Peltophorum dasyrhachis	Medicinal Plant
BXGF02346	Piper sylvaticum	Piper sylvaticum	Medicinal Plant
BXGF02354	Dunaliella acidophila	Dunaliella acidophila	Others
BXGF02379	Leptospermum scoparium	Leptospermum scoparium	Medicinal Plant
BXGF02414	Senecio erraticus	Senecio erraticus	Others
BXGF02434	Chamaemelum scariosum	Chamaemelum scariosum	Others
BXGF02457	Magnolia acuminata	Magnolia acuminata	Medicinal Plant
BXGF02506	Ficus maxima	Ficus maxima	Medicinal Plant
BXGF02533	Timonius kaniensis	Timonius kaniensis	Others
BXGF02534	Artemisia schmidtiana	Artemisia schmidtiana	Medicinal Plant
BXGF02559	Simmondsia chinensis	Simmondsia chinensis	Human Edible Plant
BXGF02561	Dysosma versipellis	Dysosma versipellis	Medicinal Plant
BXGF02571	Millettia racemosa	Millettia racemosa	Medicinal Plant
BXGF02595	Hyptis verticillata	Hyptis verticillata	Others
BXGF02645	Gleichenia glauca	Gleichenia glauca	Others
BXGF02657	Juniperus thurifera	Juniperus thurifera	Others
BXGF02704	Helipterum strictum	Helipterum strictum	Others
BXGF02741	Allium ursinum	Allium ursinum	Medicinal Plant
BXGF02755	Crotalaria lechnaultii	Crotalaria lechnaultii	Others
BXGF02769	Copaifera paupera	Copaifera paupera	Others
BXGF02798	Cleidion brevipetiolatum	Cleidion brevipetiolatum	Human Edible Plant
BXGF02804	Hernandia sonora	Hernandia sonora	Medicinal Plant
BXGF02834	Citrus tankan	Citrus tankan	Medicinal Plant
BXGF02844	Brickellia pendula	Brickellia pendula	Others
BXGF03299	Helichrysum fulvum	Helichrysum fulvum	Others
BXGF03357	Coleus carnosus	Coleus carnosus	Medicinal Plant
BXGF03531	Avena fatua	Avena fatua	Medicinal Plant
BXGF04004	Galega officinalis	Galega officinalis	Medicinal Plant
BXGF04028	Plumbago europaea	Plumbago europaea	Medicinal Plant
BXGF04061	Tecoma grandiflora	Tecoma grandiflora	Others
BXGF04172	Chrysosplenium tetrandrum	Chrysosplenium tetrandrum	Others
BXGF04225	Tacca plantaginea	Tacca plantaginea	Medicinal Plant
BXGF04396	Dysosma pleiantha	Dysosma pleiantha	Others
BXGF04679	Bridelia ferruginea	Bridelia ferruginea	Medicinal Plant
BXGF04939	Schefflera capitata	Schefflera capitata	Others
BXGF05146	Hesperocyparis nevadensis	Hesperocyparis nevadensis	Others
BXGF05280	Senecio mexicanus	Senecio mexicanus	Others
BXGF05530	Ophioglossum vulgatum	Ophioglossum vulgatum	Medicinal Plant
BXGF05744	Dimorphotheca sinuata	Dimorphotheca sinuata	Others
BXGF05782	Ammi majus	Ammi majus	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}