N-[(7S)-4-formyl-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Basic information
- CAS
2730-82-7- Standard SMILES
COc1c(C=O)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2- InChIKey
JUWAUXATKRGHCK-KRWDZBQOSA-N- Molecular formula
- C23H25NO7
- Average molar mass
- 427.4 g/mol
- Monoisotopic mass
- 427.16310214
Names & identifiers
- Preferred name
- N-[(7S)-4-formyl-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
- IUPAC
- N-[(7S)-4-formyl-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
- English name
- 4-formylcolchicine
- Molecular formula
- C23H25NO7
- Molecular weight
- 427.45
Names & synonyms
NSC328403NSC-328403CHEMBL155693orb1744838DTXSID30950024DA-50129MS-27550N-[(7S)-4-formyl-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamideNCI60_002853PD195768HY-147348CS-0566990
Show more names
4-formylcolchicineAcetamide, N-[(7S)-4-formyl-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-
Acetamide,6,7,9-tetrahydro-1,2,3,10- tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-Acetamide,N-[(7S)-4-formyl-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-N-(4-Formyl-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)ethanimidic acidN-[(7S)-4-Formyl-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]ethanimidic acid
Database identifiers
- CAS
2730-82-7- PubChem CID
- 332237
- DTXSID
DTXSID30950024- ChEMBL
CHEMBL155693- Nikkaji
- J671.288F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 815
Physicochemical properties
- form
- Solid
- color
- Light yellow to yellow
Chemistry & industry
Applications
Uses4-Formylcolchicine is a potent anticancer agent. 4-Formylcolchicine shows cytotoxicity activity with IC50 values of 1.007, 0.128, 0.054 μM for A549, HT-29, HCT116 cells, respectively[1][2].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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