BIAdb Colchicine analog 1885

BIAdb Colchicine analog 1885
Systematic (IUPAC) name
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]prop-2-enamide
Identifiers
CAS number	?
ATC code	?
PubChem	6451086
Chemical data
Formula	C₃₁H₃₃NO₉
Mol. mass	563.59502
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

563.59502

*Exact Mass

563.215532

*Molecular Formula

C₃₁H₃₃NO₉

*IUPAC NAME

(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]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)O)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)O)OC

*XLogP

2.7

*Hydrogen bond donor

2

*Hydrogen bond acceptor

9

*Rotational Bond Count

9

*Topological Polar Surface Area

122