BIAdb Colchicine analog 1888

BIAdb Colchicine analog 1888
Systematic (IUPAC) name
3,4,5-trimethoxy-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]benzamide
Identifiers
CAS number	?
ATC code	?
PubChem	84075
Chemical data
Formula	C₃₀H₃₃NO₉
Mol. mass	551.58432
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

551.58432

*Exact Mass

551.215532

*Molecular Formula

C₃₀H₃₃NO₉

*IUPAC NAME

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

*Canonical Smiles

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

*XLogP

2.6

*Hydrogen bond donor

1

*Hydrogen bond acceptor

9

*Rotational Bond Count

9

*Topological Polar Surface Area

111