Basic information
- CAS
1850-57-3- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(=O)CC2- InChIKey
BBFZPMNFNMFLMX-UHFFFAOYSA-N- Molecular formula
- C20H20O6
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.12598835
Names & identifiers
- Preferred name
- Deacetylamino-7-oxocolchicine
- IUPAC
- 1,2,3,10-tetramethoxy-5,6-dihydrobenzo[a]heptalene-7,9-dione
Names & synonyms
1850-57-3Deacetylamino-7-oxocolchicineBenzo(a)heptalene-7,9-dione, 5,6-dihydro-1,2,3,10-tetramethoxy-1,2,3,10-Tetramethoxy-5,6-dihydrobenzo[a]heptalene-7,9-dione5,6-Dihydro-1,2,3,10-tetramethoxybenzo(a)heptalene-7,9-dioneNSC99423CHEMBL89479DTXSID90171697BBFZPMNFNMFLMX-UHFFFAOYSA-NColchicin-7-one, 7-deacetamino-NSC 99423NSC-99423
Show more names
NSC102982NSC317027NSC 102982NSC 317027NSC-102982NSC-3170271,2,3,10-Tetramethoxy-5,6-dihydrobenzo[a]heptalene-7,9-dione #
Database identifiers
- CAS
1850-57-3- PubChem CID
- 97092
- DTXSID
DTXSID90171697- ChEMBL
CHEMBL89479- Nikkaji
- J1.193.693H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 674
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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