Compound - Results

Nicotinamide

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Information Structure
Name Nicotinamide
Synonyms
3-Carbamoylpyridine
3-Pyridinecarboxamide
AI3-02906
Amid Kyseliny Nikotinove
Aminicotin
Amixicotyn
Amnicotin
Austrovit PP
Benicot
beta-Pyridinecarboxamide
CCRIS 1901
Delonin Amide
Dipegyl
EINECS 202-713-4
Endobion
Hansamid
HSDB 1237
Inovitan PP
m-(Aminocarbonyl)pyridine
NAM
Nandervit-N
Niacevit
Niacinamide
Niamide
Niavit PP
Nicamina
Nicamindon
Nicasir
Nicobion
Nicofort
Nicogen
Nicomidol
Nicosan 2
Nicosylamide
Nicota
Nicotamide
Nicotilamide
Nicotililamido
Nicotinamida
Nicotinamide
Nicotinamidum
Nicotine Acid Amide
Nicotine Amide
Nicotinic Acid Amide
Nicotinic Amide
Nicotinsaureamid
Nicotol
Nicotylamide
Nicotylamidum
Nicovit
Nicovitina
Nicovitol
Nicozymin
Niko-Tamin
Nikotinamid
Nikotinsaeureamid
Niocinamide
Niozymin
NSC 13128
Papulex
Pelmine
Pelonin Amide
Pyridine, 3-carbamoyl-
Pyridine-3-carboxylic Acid Amide
Savacotyl
VI-Nicotyl
Vitamin B
Vitamin B (VAN)
Vitamin B3
ATC A11HA01
CID 936
CAS 000098920
TTD Drug ID DAP001410
Herbal origin Anteater scales Preparata
black catechu
Calcined Arc Shell
Chinese Waxgourd Peel
Cluster Mallow Fruit
Dahurian Rhododendron Leaf
Eucalyptus Oil
Fortune Eupatorium Herb
Green Tea
Hedge Prinsepia Nut
Matrine
poppy capsule
Prepared Scorpion
root of Lightyellow sophora
root of Membranous Milkvetch
root of triquetrous tadehagi
Sal ammoniaci
Tea leaves
Tea-seed Oil
SMILES NC(=O)C1=CC=CN=C1
Formula C6H6N2O
Molweight 122.125
Atoms 9
LogP 0.8808
Rotatable Bonds 1
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
1A2Inducer 7508708
2D6Inhibitor 15081432
15081432
2E1Inhibitor 15081432
15081432
3A4Inhibitor 15081432
15081432
Pyridoxine (vit B6)

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Information Structure
Name Pyridoxine (vit B6)
Synonyms
2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine
2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine
2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin
2-Methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine
2-Picoline-4,5-dimethanol, 3-hydroxy-
3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-
3-Hydroxy-4,5-dimethylol-alpha-picoline
5-Hydroxy-6-methyl-3,4-pyridinedimethanol
Adermine
EINECS 200-603-0
Gravidox
Hydoxin
Piridossina
Piridoxina
Pyridoxin
Pyridoxine
Pyridoxine (vit B6)
Pyridoxinum
Pyridoxol
Pyridoxolum
ATC A11HA02
CID 1054
CAS 000065236
Drugbank ID DB00165
TTD Drug ID DNC001499
SMILES CC1=C(O)C(CO)=C(CO)C=N1
Formula C8H11NO3
Molweight 169.178
Atoms 12
LogP 0.0802
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
1A1Inducer 19637937
Phase2 interactions
NameReferences
MET 3004168
Tocopherol (vit E)

Java required.


Information Structure
Name Tocopherol (vit E)
Synonyms
CCRIS 4506
Methyltocols
Tocopherol
Tocopherol (vit E)
ATC A11HA03
CID 14985
CAS 001406662
Drugbank ID DB00163
SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2
Formula C29H50O2
Molweight 430.706
Atoms 33
LogP 8.8402
Rotatable Bonds 12
H-Bond Donors 0
H-Bond Acceptors 2
CYP interactions
NameRelationsReferences
2E1Inhibitor 10232825
3A4Substrate Inducer 16860808
3A5Inducer 12763054
4F2Substrate 11997390
15753130
Riboflavin (vit B2)

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Information Structure
Name Riboflavin (vit B2)
Synonyms
6,7-Dimethyl-9-D-ribitylisoalloxazine
7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine
7,8-Dimethyl-10-ribitylisoalloxazine
AI3-14697
Aqua-Flave
Beflavin
Beflavine
Benzo(g)pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-
CCRIS 1904
D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo(g)pteridin-10(2H)-yl)-
Dermadram
EINECS 201-507-1
Fiboflavin
Flavaxin
Flavin BB
Flaxain
HSDB 817
Hyflavin
HYRE
Isoalloxazine, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-
Isoalloxazine, 7,8-dimethyl-10-D-ribityl-
Lactobene
Lactoflavin
Lactoflavine
NSC 33298
Ribipca
Ribocrisina
Riboderm
Riboflavin
Riboflavin (vit B2)
Riboflavina
Riboflavine
Riboflavinequinone
Riboflavinum
Ribosyn
Ribotone
Ribovel
Russupteridine Yellow III
Vitaflavine
Vitamin B2
Vitamin Bi
Vitamin G
Vitasan B2
ATC A11HA04
CID 493570
CAS 000083885
Drugbank ID DB00140
Herbal origin bark of Largeleaf Chinese Ash
Deer Horn
Ephedra
Hairy Deer-horn (Hairy Antler)
Jian Qu
Muskmelon base
Rose Apple
seed of spine date
seed of true lacquertree
Siphonostegia
Starwort Root
SMILES CC1=CC2=C(C=C1C)N(C[C@@H](O)[C@@H](O)[C@@H](O)CO)C3=NC(=O)NC(=O)C3=N2
Formula C17H20N4O6
Molweight 376.364
Atoms 30
LogP -1.6752
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 9
CYP interactions
NameRelationsReferences
1A1Substrate 9512490
Transporter
AC-No.NameReferences
Q9UNQ0ATP-binding cassette sub-family G member 217145775
Biotin

Java required.


Information Structure
Name Biotin
Synonyms
(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-valeric Acid
(3aS-(3aalpha,4b,6aalpha))-Hexahydro-2-oxo-1H-thieno(3,4-d)imidaz- Ole-4-pentanoic Acid
1H-Thieno(3,4-d)imidazole-4-pentanoic Acid, Hexahydro-2-oxo-, (3aS-(3aalpha,4b,6aalpha))-
1H-Thieno(3,4-d)imidazole-4-pentanoic Acid, Hexahydro-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-
2-Keto-3,4-imidazolido-2-tetrahydrothiophene-N-valeric Acid
AI3-51198
Bioepiderm
Bios II
Biotin
Biotina
Biotine
Biotinum
CCRIS 3932
cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric Acid
cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric Acid
Coenzyme R
D-Biotin
EINECS 200-399-3
Factor S
Factor S (vitamin)
Hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanoic Acid, (3aS-(3aalpha,4beta,6aalpha))-
HSDB 346
Injacom H
NSC 63865
Vitamin B7
Vitamin H
ATC A11HA05
CID 6419877
CAS 000058855
Herbal origin Polyporus grifolia, Umbellate pore-fungus
SMILES OC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12
Formula C10H16N2O3S
Molweight 244.311
Atoms 16
LogP 1.4544
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 5
CYP interactions
NameRelationsReferences
1B1Inducer 15333708
15333708
Transporter
AC-No.NameReferences
P53985Monocarboxylate transporter 119319844
Q9Y289Sodium-dependent multivitamin transporter 20599968
Pyridoxal Phosphate

Java required.


Information Structure
Name Pyridoxal phosphate
Synonyms
4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-
Apolon B(sub 6)
Apolon B6
Biosechs
Codecarboxylase
EINECS 200-208-3
Hairoxal
Hexermin P
HI-Pyridoxin
Hiadelon
Himitan
NSC 82388
Pal-P
Phosphopyridoxal
Phosphopyridoxal Coenzyme
Phosphoridoxal Coenzyme
Pidopidon
Piodel
PLP
Pydoxal
Pyridoxal 5-phosphate
Pyridoxal Monophosphate
Pyridoxal P
Pyridoxal Phosphate
Pyridoxal-5-phosphate
Pyridoxaldehyde Phosphate
Pyridoxyl Phosphate
Pyromijin
Sechvitan
Vitahexin P
Vitazechs
ATC A11HA06
CID 1051
CAS 000054477
TTD Drug ID DNC001172
SMILES CC1=C(O)C(C=O)=C(COP(O)(O)=O)C=N1
Formula C8H10NO6P
Molweight 247.142
Atoms 16
LogP 0.5174
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 7
Phase2 interactions
NameReferences
SUL 8010994,
2363732
Transporter
AC-No.NameReferences
P53985Monocarboxylate transporter 119319844
Q9Y289Sodium-dependent multivitamin transporter 20599968
Inositol

Java required.


Information Structure
Name Inositol
Synonyms
1,2,3,4,5,6-Cyclohexanehexol
EINECS 230-024-9
Inosite
Inositol
NSC 25142
NSC 8101
ATC A11HA07
CID 892
CAS 006917357
TTD Drug ID DNC000974
Herbal origin Inula Root
Root of Chinese Pulsatilla
Stachyurus or Japanese Helwingia Pith
SMILES O[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]1O
Formula C6H12O6
Molweight 180.156
Atoms 12
LogP -3.8346
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 6
Transporter
AC-No.NameReferences
Q96QE2Hmit11500374
Tocofersolan

Java required.


Information Structure
Name tocofersolan
Synonyms
(+)-alpha-tocopheryl Polyethylene Glycol 1000 Succinate
1-o-(2-hydroxyethyl) 4-o-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] Butanedioate
162849-98-1
2-hydroxyethyl 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2h-chromen-6-yl Succinate
249747-47-5
30999-06-5
75139-00-3
9002-96-4
ac1l2g3t
ac1q685o
alpha-tocopheryl Poly(ethylene Glycol) 1000 Succinate, D-
alpha-tocopheryl Poly(ethylene Glycol)1000 Succinate, D-
alpha-tocopheryl Polyethylene Glycol 1000 Succinate
alpha-tocopheryl Polyethylene Glycol Succinate
cid71406
d 1t
d-alpha-tocopheryl Poly(ethylene Glycol) 1000 Succinate
d06174
ls-184083
mono-(2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl) Succinate Polyethylene Glycol Monoester
poly(oxy-1,2-ethanediyl), Alpha-(4-((3,4-dihydro-2,5,7,8-tetramethyl-2- (4,8,12-trimethyltridecyl)-2h-1-benzopyran-6-yl)oxy)-1,4-dioxobutyl)-omega-hyd
poly(oxy-1,2-ethanediyl), Alpha-(4-((3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2h-1-benzopyran-6-yl)oxy)-1,4-dioxobutyl)-omega-hydr
poly(oxy-1,2-ethanediyl), Alpha-(4-((3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2h-1-benzopyran-6-yl)oxy)-1,4-dioxobutyl-omega-hydro
tocofersolan
tocofersolan (inn)
tocofersolan [inn]
tocofersolano
tocofersolano [inn-spanish]
tocofersolanum
tocofersolanum [inn-latin]
tocophersolan
tocophersolan (usan)
tocophersolan [usan]
tocopheryl Polyethylene Glycol 1000 Succinate
tpgs
vitamin E Tpgs
ATC A11HA08
CID 71406
CAS cid71406
Formula C6H12O6
Molweight 180.156
Atoms 12
LogP -3.8346
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 6
Transporter
AC-No.NameReferences
Q96QE2Hmit11500374
Dexpanthenol

Java required.


Information Structure
Name Dexpanthenol
Synonyms
(+)-Panthenol
(R)-2,4-Dihydroxy-N-(3-hydroxy-propyl)-3,3-dimethylbutanamide
2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide, (R)-
2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide, D-(+)-
4-04-00-01652 (Beilstein Handbook Reference)
Alcopan-250
alpha,gamma-Dihydroxy-N-(3-hydroxypropyl)-beta,beta-dimethylbutyramide, D-(+)-
Bepanthen
Bepanthene
Bepantol
BRN 1724947
Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (R)-
Butyramide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, D-(+)-
CCRIS 3947
Cozyme
D(+)-alpha,gamma-Dihydroxy-N-(3-hydroxypropyl)-beta,beta-dimethylbutyramide
d(+)-Panthenol
D(+)-Pantothenyl Alcohol
D-(+)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide
D-P-A Injection
D-Panthenol
D-Panthenol 50
d-Pantothenol
d-Pantothenyl Alcohol
Dexpantenol
Dexpanthenol
Dexpanthenolum
Dextro Pantothenyl Alcohol
EINECS 201-327-3
HSDB 296
Ilopan
Intrapan
Motilyn
NSC 302962
Panadon
Pantenyl
Panthoderm
Pantol
Pantothenol
Pantothenol, D-
Pantothenyl Alcohol
Pantothenylol
Penthenol
Propanolamine, N-pantoyl-
Provitamin B
Provitamin B5
Synapan
Thenalton
Urupan
Zentinic
ATC A03FA07
A11HA30
D03AX03
G02CD07
S01XA12
R01AX26
CID 131204
CAS 000081130
SMILES CC(C)(CO)[C@@H](O)C(=O)NCCCO
Formula C9H19NO4
Molweight 205.251
Atoms 15
LogP -0.7447
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 5
Transporter
AC-No.NameReferences
Q96QE2Hmit11500374
Calcium Pantothenate

Java required.


Information Structure
Name Calcium pantothenate
Synonyms
Beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, Calcium Salt
beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, Calcium Salt (2:1), (R)-
Bis(pantothenato)calcium
Ca-HOPA
Calcii Pantothenas
Calcium D(+)-N-(alpha,gamma-dihydroxy-beta,beta-dimethylbutyryl)-beta-alaninate
Calcium D-pantothenate
Calcium D-pantothenate (1:2)
Calcium N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine
Calcium N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine (1:2), (R)-
Calcium Panthothenate
Calcium Pantothenate
Calcium Pantothenate (2:1)
Calcium Pantothenate (VAN)
Calcium, Bis(pantothenato)-
Calpan
Calpanate
CCRIS 1338
Cris Pan
D-Calcium Pantothenate Calcium Chloride Double Salt
Dextro Calcium Pantothenate
EINECS 205-278-9
N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine Calcium
NSC 36292
Pancal
Panthoject
Pantholin
Pantotenato Calcico
Pantothenate Calcium
Pantothenate De Calcium
Pantothenic Acid Calcium Salt
Pantothenic Acid, Calcium Salt
Pantothenic Acid, Calcium Salt (2:1), ( +)-
Pantothenic Acid, Calcium Salt (2:1), D-
Pantothenic Acid, Calcium Salt, D-, Compd. With Calcium Chloride
Vitamin B5, Calcium Salt
ATC A11HA31
D03AX04
CID 8714
CAS 000137086
SMILES CC(C)(CO)[C@H](O)C(=O)NCCC([O-])=O
Transporter
AC-No.NameReferences
Q96QE2Hmit11500374
Pantethine

Java required.


Information Structure
Name Pantethine
Synonyms
Bis(pantothenamidoethyl) Disulfide
D-Bis(N-pantothenyl-beta-aminoethyl) Disulfide
D-Pantethine
EINECS 240-842-8
LBF Disulfide
Lipodel
Pantethine
Pantetina
Pantomin
Pantosin
ATC A11HA32
CID 452306
CAS 016816674
SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO
Formula C22H42N4O8S2
Molweight 554.721
Atoms 38
LogP -0.0648
Rotatable Bonds 23
H-Bond Donors 0
H-Bond Acceptors 12
Transporter
AC-No.NameReferences
Q96QE2Hmit11500374