BIAdb Demecolcine 2012

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BIAdb Demecolcine 2012
Systematic (IUPAC) name
1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one
Identifiers
CAS number	?
ATC code	?
PubChem	2832
Chemical data
Formula	C21H25NO5
Mol. mass	371.4269
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

Description

Source

Merendera robusta

Function

Antineoplastic

General Properties

*Molecular Weight

371.4269

*Exact Mass

371.173273

*Molecular Formula

C₂₁H₂₅NO₅

*IUPAC NAME

1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one

*Canonical Smiles

CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC

*Isomeric Smiles

N/A

*XLogP

1.4

*Hydrogen bond donor

1

*Hydrogen bond acceptor

6

*Rotational Bond Count

5

*Topological Polar Surface Area

66

External Links

• Pubchem

• KEGG

Link to BIAdb Database