BIAdb Colchicine analog 1886

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BIAdb Colchicine analog 1886
Systematic (IUPAC) name
(E)-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Identifiers
CAS number	?
ATC code	?
PubChem	6451115
Chemical data
Formula	C32H35NO9
Mol. mass	577.6216
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

577.6216

*Exact Mass

577.231182

*Molecular Formula

C₃₂H₃₅NO₉

*IUPAC NAME

(E)-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

*Canonical Smiles

COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC

*Isomeric Smiles

COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC

*XLogP

3

*Hydrogen bond donor

1

*Hydrogen bond acceptor

9

*Rotational Bond Count

10

*Topological Polar Surface Area

111

[edit] External Links

• Pubchem

Link to BIAdb Database