BIAdb Colchicine analog 1887

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BIAdb Colchicine analog 1887
Systematic (IUPAC) name
(E)-3-(3,4-dihydroxyphenyl)-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	6451116
Chemical data
Formula	C₂₉H₂₉NO₈
Mol. mass	519.54246
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

N/A

Unknown

*Molecular Weight

519.54246

*Exact Mass

519.189317

*Molecular Formula

C₂₉H₂₉NO₈

*IUPAC NAME

(E)-3-(3,4-dihydroxyphenyl)-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)O)O

*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)O)O

*XLogP

2.4

*Hydrogen bond donor

3

*Hydrogen bond acceptor

8

*Rotational Bond Count

7

*Topological Polar Surface Area

124