BIAdb CID5363948 1762

BIAdb CID5363948 1762
Systematic (IUPAC) name
[2,6-dimethoxy-4-[(E)-3-oxo-3-[(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)amino]prop-1-enyl]phenyl] acetate
Identifiers
CAS number	?
ATC code	?
PubChem	5363948
Chemical data
Formula	C₃₃H₃₅NO₁₀
Mol. mass	605.6317
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

605.6317

*Exact Mass

605.226096

*Molecular Formula

C₃₃H₃₅NO₁₀

*IUPAC NAME

[2,6-dimethoxy-4-[(E)-3-oxo-3-[(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)amino]prop-1-enyl]phenyl] acetate

*Canonical Smiles

CC(=O)OC1=C(C=C(C=C1OC)C=CC(=O)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)OC)OC)OC)OC)OC

*Isomeric Smiles

CC(=O)OC1=C(C=C(C=C1OC)/C=C/C(=O)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)OC)OC)OC)OC)OC

*XLogP

2.8

*Hydrogen bond donor

1

*Hydrogen bond acceptor

10

*Rotational Bond Count

11

*Topological Polar Surface Area

128