BIAdb Colchicine analog 1884

BIAdb Colchicine analog 1884
Systematic (IUPAC) name
3,4,5-trimethoxy-N-[(7S)-1,2,3-trimethoxy-9-oxo-10-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-5H-benzo[d]heptalen-7-yl]benzamide
Identifiers
CAS number	?
ATC code	?
PubChem	453137
Chemical data
Formula	C₃₉H₄₁NO₁₂
Mol. mass	715.74234
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

715.74234

*Exact Mass

715.262876

*Molecular Formula

C₃₉H₄₁NO₁₂

*IUPAC NAME

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

*Canonical Smiles

COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC=C3C(=CC2=O)C(CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C5=CC(=C(C(=C5)OC)OC)OC

*Isomeric Smiles

COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C5=CC(=C(C(=C5)OC)OC)OC

*XLogP

4.4

*Hydrogen bond donor

1

*Hydrogen bond acceptor

12

*Rotational Bond Count

13

*Topological Polar Surface Area

146