General Information of the Compound
| Compound ID |
CP0077813
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| Compound Name |
(-)-demecolcine
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| Synonyms |
1,2,3,10-Tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
6,7-Dihydro-1,2,3,10-Tetramethoxy-7-(Methylamino) Benzo (alpha) Heptalen-9(5H)-one
AC1L1EKK
AC1Q698E
BBL027927
CD0013
CHEMBL433632
CTK8E8505
Demecolcine
Demicolcine
HMS3374M04
HSCI1_000384
MolMap_000011
MolPort-003-846-192
NCGC00166035-01
NSC3096
SCHEMBL8160
STL377913
colcemid
demecolcine,colcemid, n-deacetyl-n-methylcolchicine, n-methyl-n-desacetylcolchicine
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| Structure |
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| Formula |
C21H25NO5
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| Molecular Weight |
371.433
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| Canonical SMILES |
CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc12
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| InChI |
InChI=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
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| InChIKey |
NNJPGOLRFBJNIW-HNNXBMFYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04880, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT06124, Paired box protein Pax-8
Clinical Information about the Compound