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(-)-demecolcine

PropertiesImage
MNX_IDMNXM30282 Image of MNXM30282
referencechebi:4393
formulaC21H25NO5
global charge0
mol weight371.433
InChIKeyNNJPGOLRFBJNIW-HNNXBMFYSA-N
InChIInChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1
SMILESCN[C@H]1CCC2=CC(OC)=C(OC)C(OC)=C2C2=CC=C(OC)C(=O)C=C21
MNX internals
InChI (mnx)InChI=1/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1 Image of MNXM30282
SMILES (mnx)[CH3:1][NH:22][C@H:15]1[CH2:8][CH2:6][C:12]2=[C:19]([C:13]3=[CH:7][CH:9]=[C:17]([O:24][CH3:2])[C:16](=[O:23])[CH:11]=[C:14]31)[C:21]([O:27][CH3:5])=[C:20]([O:26][CH3:4])[C:18]([O:25][CH3:3])=[CH:10]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:4393
chebi:4393
NNJPGOLRFBJNIW-HNNXBMFYSA-N 		(-)-demecolcine
(-)-colchamine
(7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Colcemid
N-deacetyl-N-methylcolchicine
N-desacetyl-N-methylcolchicine
N-methyl-N-deacetylcolchicine
N-methyl-N-desacetylcolchicine
Reichstein's F
Santavy's substance F
demecolcina
demecolcine
demecolcinum
hmdb:HMDB0250401
NNJPGOLRFBJNIW-UHFFFAOYSA-N 		1,2,3,10-Tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
(+-)-demecolcine
3,4,5,14-tetramethoxy-10-(methylamino)tricyclo[9.5.0.0²,⁷]hexadeca-1(16),2,4,6,11,14-hexaen-13-one
Colcemid
Colcemide
Colchamine
Demecolcine
Demecolcine, (+-)-isomer

seed.compound:cpd08113
seedM:cpd08113
NNJPGOLRFBJNIW-HNNXBMFYSA-O 		Colcemid
Demecolcine
demecolcine

kegg.compound:C11250
keggC:C11250
NNJPGOLRFBJNIW-UHFFFAOYSA-N 		Demecolcine
Colcemid

metacyc.compound:CPD-9787
metacycM:CPD-9787
NNJPGOLRFBJNIW-HNNXBMFYSA-O 		demecolcine

keggC:M_C11250
seedM:M_cpd08113 		secondary/obsolete/fantasy identifier