CHEBI:495055 - β-cyclodextrin

ChEBI IDCHEBI:495055
ChEBI Nameβ-cyclodextrin
Stars
ASCII Namebeta-cyclodextrin
DefinitionA cyclodextrin composed of seven α-(1→4) linked D-glucopyranose units.
Secondary ChEBI IDsCHEBI:40949, CHEBI:655598
Last Modified22 February 2017
DownloadsMolfile
FormulaC42H70O35
Net Charge0
Average Mass1134.987
Monoisotopic Mass1134.36976
SMILESOC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO
InChIInChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1
InChIKeyWHGYBXFWUBPSRW-FOUAGVGXSA-N
Roles Classification
Biological Roles:
insulin-sensitizing drug  An agent which overcomes insulin resistance by activation of the peroxisome proliferator activated receptor gamma (PPAR-gamma).
antiviral agent  A substance that destroys or inhibits replication of viruses.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
Applications:
antispasmodic drug  A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
laxative  An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic.
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
dermatologic drug  A drug used to treat or prevent skin disorders or for the routine care of skin.
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
antiparkinson drug  A drug used in the treatment of Parkinson's disease.
insulin-sensitizing drug  An agent which overcomes insulin resistance by activation of the peroxisome proliferator activated receptor gamma (PPAR-gamma).
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
β-cyclodextrin (CHEBI:495055) is a cyclodextrin (CHEBI:23456)
Incoming Relation(s)
methyl β-cyclodextrin (CHEBI:133151) has functional parent β-cyclodextrin (CHEBI:495055)
IUPAC Name 
cyclomaltoheptaose
Synonyms  Source
beta-cyclodextrinChEMBL
betadexChemIDplus
cycloheptaamyloseChemIDplus
cycloheptaglucanChemIDplus
cycloheptaglucosanChemIDplus
β-CDChEBI
Manual XrefsDatabases
2971DrugCentral
C13183KEGG COMPOUND
CPD-3781MetaCyc
D02401KEGG DRUG
Registry NumbersSources
Reaxys:78623Reaxys
CAS:7585-39-9KEGG COMPOUND
CAS:7585-39-9NIST Chemistry WebBook
CAS:7585-39-9ChemIDplus
Citations