Colchicine, deacetamido-5,6-didehydro-
Basic information
- CAS
14511-67-2- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1CC=C2- InChIKey
FQJNWAQADVOLFC-UHFFFAOYSA-N- Molecular formula
- C20H20O5
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.13107373
Names & identifiers
- Preferred name
- Colchicine, deacetamido-5,6-didehydro-
- IUPAC
- 1,2,3,10-tetramethoxy-7H-benzo[a]heptalen-9-one
Names & synonyms
Deacetamido-6-dehydrocolchicineColchicine, deacetamido-5,6-didehydro-Deacetamido-5,6-didehydrocolchicine5,6-Dehydro-7-deacetamidocolchicineBRN 2482144COLCHICINE, 5,6-DIDEHYDRODEACETAMIDO-DTXSID70162881Colchicine, deacetamido-6-dehydro-Benzo(alpha)heptalen-9(5H)-one, 1,2,3,10-tetramethoxy-RefChem:334304DTXCID5085372Benzo(a)heptalen-9(5H)-one, 1,2,3,10-tetramethoxy-
Show more names
NSC317028CHEMBL899001,2,3,10-tetramethoxybenzo[a]heptalen-9(7H)-oneNSC-31702876265-61-7
Database identifiers
- CAS
14511-67-2、76265-61-7- PubChem CID
- 26719
- DTXSID
DTXSID70162881- ChEMBL
CHEMBL89900- Nikkaji
- J67.647K
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
- 642
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Related reactions
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Compound notes
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