Bioactive Compound Details

BioIDbio200601
Name2-HYDROXYPROPYL-BETA-CYCLODEXTRIN
ChEMBL IDCHEMBL577294
Molecular FormulaC63H112O42
Molecular Weight1541.55
Molecular Weight (Monoisotopic)1540.6628
TypeOligosaccharide
Max PhasePhase 3
Target IDTar81
Target NameNone
Synonyms2-hydroxypropyl-beta-cyclodextrin|HPBCD|HYDROXYL-PROPYL-BETA-CYCLODEXTRIN|HYDROXYPROPYL .BETA.-CYCLODEXTRIN|HYDROXYPROPYL BCD|HYDROXYPROPYL BETACYCLODEXTRIN|HYDROXYPROPYL BETADEX|HYDROXYPROPYL-BCYCLODEXTRIN|HYDROXYPROPYLBETADEX|Hydroxypropyl-Beta-Cyclodextrin
SmilesCC(O)COC[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]8COCC(C)O)O[C@@H]7COCC(C)O)O[C@@H]6COCC(C)O)O[C@@H]5COCC(C)O)O[C@@H]4COCC(C)O)O[C@@H]3COCC(C)O
InchiInChI=1S/C63H112O42/c1-22(64)8-85-15-29-50-36(71)43(78)57(92-29)100-51-30(16-86-9-23(2)65)94-59(45(80)38(51)73)102-53-32(18-88-11-25(4)67)96-61(47(82)40(53)75)104-55-34(20-90-13-27(6)69)98-63(49(84)42(55)77)105-56-35(21-91-14-28(7)70)97-62(48(83)41(56)76)103-54-33(19-89-12-26(5)68)95-60(46(81)39(54)74)101-52-31(17-87-10-24(3)66)93-58(99-50)44(79)37(52)72/h22-84H,8-21H2,1-7H3/t22?,23?,24?,25?,26?,27?,28?,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m1/s1
Inchi KeyODLHGICHYURWBS-LKONHMLTSA-N
Molecular SpeciesNone
Targets111.0
Bioactivities272.0
Np Likeness ScoreNone
Records Key['HPBetaCD', '2-hydroxypropyl-beta-cyclodextrin', 'BCD', '2-HYDROXYPROPYL-BETA-CYCLODEXTRIN', '2-HYDROXYPROPYL-BETA-CYCLODEXTRIN', 'COVC-0678102743']
Records Name['2-hydroxypropyl-beta-cyclodextrin', '2-hydroxypropyl-beta-cyclodextrin', 'Hydroxypropyl-beta-cyclodextrin', '2-Hydroxypropyl-Beta-Cyclodextrin', '2-HYDROXYPROPYL-BETA-CYCLODEXTRIN', 'HYDROXYPROPYL-BETA-CYCLODEXTRIN']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure