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alvocidib

PropertiesImage
MNX_IDMNXM102653 Image of MNXM102653
referencechebi:47344
formulaC21H20ClNO5
global charge0
mol weight401.846
InChIKeyBIIVYFLTOXDAOV-YVEFUNNKSA-N
InChIInChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
SMILESCN1CC[C@H](C2=C(O)C=C(O)C3=C2OC(C2=C(Cl)C=CC=C2)=CC3=O)[C@H](O)C1
MNX internals
InChI (mnx)InChI=1/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 Image of MNXM102653
SMILES (mnx)[CH3:1][N:23]1[CH2:7][CH2:6][C@H:12]([C:19]2=[C:21]3[C:20](=[C:15]([OH:25])[CH:8]=[C:14]2[OH:24])[C:16](=[O:26])[CH:9]=[C:18]([C:11]2=[CH:4][CH:2]=[CH:3][CH:5]=[C:13]2[Cl:22])[O:28]3)[C@H:17]([OH:27])[CH2:10]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:47344
chebi:47344
BIIVYFLTOXDAOV-YVEFUNNKSA-N 		alvocidib
(-)-cis-5,7-dihydroxy-2-(2-chlorophenyl)-8-(4-(3-hydroxy-1-methyl)piperidinyl)-4H-1-benzopyran-4-one
2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one
Flavopiridol
HMR 1274
HMR-1274
L 86-8275
L 868275
L-868275
L86-8275
alvocidibum

kegg.drug:D09868
keggD:D09868
BIIVYFLTOXDAOV-YVEFUNNKSA-N 		Alvocidib (USAN/INN)
hmdb:HMDB0252296
BIIVYFLTOXDAOV-UHFFFAOYSA-N 		Flavopiridol
(-)cis-5,7-Dihydroxy-2-(2-chlorophenyl)-8-(4-(3-hydroxy-1-methyl)piperidinyl)-4H-1-benzopyran-4-one
2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methylpiperidin-4-yl)-4H-chromen-4-one
2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methylpiperidin-4-yl)chromen-4-one
Alvocidib

CHEBI:90997
chebi:90997
BIIVYFLTOXDAOV-YVEFUNNKSA-O 		alvocidib(1+)
(3S,4R)-4-[2-(2-chlorophenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3-hydroxy-1-methylpiperidinium

keggD:M_D09868 		secondary/obsolete/fantasy identifier