BIAdb 3-desmethylcolchicine 1045

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BIAdb 3-desmethylcolchicine 1045
Systematic (IUPAC) name
N-[(7S)-3-hydroxy-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Identifiers
CAS number	?
ATC code	?
PubChem	299664
Chemical data
Formula	C21H23NO6
Mol. mass	385.41042
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

[edit] Description

[edit] Source

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

385.41042

*Exact Mass

385.152537

*Molecular Formula

C₂₁H₂₃NO₆

*IUPAC NAME

N-[(7S)-3-hydroxy-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide

*Canonical Smiles

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O

*Isomeric Smiles

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O

*XLogP

0.7

*Hydrogen bond donor

2

*Hydrogen bond acceptor

6

*Rotational Bond Count

4

*Topological Polar Surface Area

94.1

[edit] External Links

• Pubchem

Link to BIAdb Database