6,7-Dihydro-1,2,3,10-tetramethoxybenzo(a)heptalen-9(5H)-one
Basic information
- CAS
1420-08-2- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1CCC2- InChIKey
IPDJRYUVROTJTO-UHFFFAOYSA-N- Molecular formula
- C20H22O5
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.1467238
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6,7-Dihydro-1,2,3,10-tetramethoxybenzo(a)heptalen-9(5H)-one
- IUPAC
- 1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
- English name
- desacetamidocolchicine
- Molecular formula
- C20H22O5
- Molecular weight
- 342.39
Names & synonyms
Desacetamidocolchicine1420-08-2DeacetamidocolchicineSH73UDM5S9BENZO(a)HEPTALEN-9(5H)-ONE, 6,7-DIHYDRO-1,2,3,10-TETRAMETHOXY-DTXSID101619196,7-Dihydro-1,2,3,10-tetramethoxybenzo[a]heptalen-9(5H)-oneBenzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-6,7-Dihydro-1,2,3,10-tetramethoxybenzo(a)heptalen-9(5H)-oneRefChem:913677DTXCID20844101,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Show more names
DeacetylaminocolchicineDesacetylaminocolchicineBRN 20160004-08-00-03562 (Beilstein Handbook Reference)SCHEMBL7920151CHEMBL47454981,2,3,10-Tetramethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Database identifiers
- CAS
1420-08-2- PubChem CID
- 14995
- DTXSID
DTXSID10161919- ChEMBL
CHEMBL4745498- UNII
- SH73UDM5S9
- Nikkaji
- J71.592A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 603
Chemistry & industry
Applications
DescriptionDesacetamidocolchicine (DAAC) is a colchicine analogue that lacks the acetamido side chain in the ring-B of colchicine. Unlike colchicine, it binds to tubulin very quickly, and yet it has powerful antimitotic properties. It has been demonstrated that the beta-tubulin isoforms differ significantly in their interactions with colchicine.
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Compound notes
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