UCSF

ZINC02036848

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 27 Yes

Popular Name: Riboflavin Riboflavin

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 83-88-5 , [83-88-5]

Other Names:

(-)-Riboflavin

(-)-Riboflavin; 1-Deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-D-ribitol; 6,7-Dimethyl-9-D-ribitylisoalloxazine; 6,7-Dimethyl-9-ribitylisoalloxazine; 7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-Benzo[g]pteridine-2,4(3H,10

(-)-riboflavin; 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol; 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol; 6,7-Dimethyl-9-D-ribitylisoalloxazine; 7,8-Dimethyl-10-(D-ribo-2,3,4,5-te

(-)-Riboflavin; 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol; 6,7-Dimethyl-9-D-ribitylisoalloxazine; 6,7-Dimethyl-9-ribitylisoalloxazine; 7,8-Dimethyl-10-(1' d-ribityl)isoalloxazine; 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetr

(-)-Riboflavin;1-Deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-D-ribitol;6,7-Dimethyl-9-D-ribitylisoalloxazine;6,7-Dimethyl-9-ribitylisoalloxazine;7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-Benzo[g]pteridine-2,4(3H,10H)-d

vin-

1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol

1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol; 6,7-dimethyl-9-D-ribitylisoalloxazine; 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione; 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxype

653

7,8-Dimethyl-10-(2,3,4,5-tetrahydroxy-pentyl)-10H-benzo[g]pteridine-2,4-dione

7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione

7,8-Dimethyl-10-ribitylisoalloxazine; 83-88-5; C00255; Lactoflavin; Riboflavin; Vitamin B2

7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]-1H-benzo[g]pteridin-10-ium-2,4-dione

7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridin-3-ide; riboflavin

83-88-5; Bisulase (TN); D00050; Riboflavin (JP16/USP/INN)

83-88-5; Prestwick_442; Riboflavine

83-88-5; riboflavin; vitamin B2

Aqua-Flave

BAN

Beflavin

Beflavine

Bisulase

CHEBI:529204; CHEBI:45214; CHEBI:15044; CHEBI:8843; CHEBI:27299

Dermadram

FDA

Fiboflavin

Flavaxin

Flavin

Flavin Bb

Flaxain

HSDB 817

Hyflavin

Hyre

INN

Lactobene

Lactoflavin

Lactoflavin, Vitamin B2

Lactoflavine

MFCD00005022

MFCD00066861

Ovoflavin

pentitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-

Ribipca

Ribocrisina

Riboderm

Riboflavin (BAN

Riboflavin (FDA

Riboflavin (Vitamin B2)

riboflavin(1-)

Riboflavin, 98%

Riboflavin-[13C4,15N2] (Vitamin B2)

riboflavin; riboflavina; riboflavine; riboflavinum

Riboflavina [INN-Spanish]

Riboflavine

Riboflavine [INN-French]

RIBOFLAVINE; [83-88-5]

Riboflavinum [INN-Latin]

Ribosyn

Ribotone

Ribovel

Russupteridine Yellow III

USP); Riboflavin Tetrabutyrate (JAN)

VibeX

Vitaflavine

Vitamin B2

Vitamin B2, E101

Vitamin Bi

Vitamin G

Vitasan B2

ZINC01532585

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.76 -5.52 -24.21 5 10 0 162 376.369 5 ↓

Vendor Notes

Note Type Comments Provided By
biological_source Widely distributed, but occurs naturally in free form only in the retina, in whey and in urine. Main forms occurring in tissues and cells are flavine mononucleotide and flavine-a ZereneX Building Blocks
Molecular_Solubility 2.64 Bitter DB
mp 184 - 186 MolMall (formerly Molecular Diversity Preservation International)
Mp [°C] 290 Acros Organics
M.P 290 °C Indofine
ALOGPS_SOLUBILITY 6.57e-01 g/l DrugBank-nutriceuticals
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
UniProt Database Links ARFB_META3; ARFB_METFA; ARFB_METFV; ARFB_METIM; ARFB_METJA; ARFB_METM5; ARFB_METM6; ARFB_METM7; ARFB_METMP; ARFB_METRM; ARFB_METS3; ARFB_METSF; ARFB_METST; ARFB_METTH; ARFB_METTM; ARFB_METV3; ARFB_METVM; ARFB_METVS; DHAK_BOVIN; DHAK_HUMAN; DHAK_MOUSE; DHA ChEBI
mechanism Enzyme cofactor IBScreen Bioactives
Patent Database Links EP1048668; EP1477568; EP1484061; EP1553099; EP1580229; EP1607096; EP1609462; EP1671550; EP1671630; EP1681053; EP1693067; EP1757293; EP1762232; EP1808177; EP1849461; EP1889625; EP1932514; EP1932542; EP1983044; GB2283913; US2005153371; US2005165227; US20052 ChEBI
Target Others Selleck Chemicals
Reactome Database Links REACT_11171; REACT_11232; REACT_163635 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
biological_use Vitamin B2 IBScreen Bioactives IBScreen Bioactives

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Vitamin B2 (riboflavin) metabolism

Analogs ( Draw Identity 99% 90% 80% 70% )