BIAdb Dicentrine 2021

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BIAdb Dicentrine 2021
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	101300
Chemical data
Formula	C20H21NO4
Mol. mass	339.38504
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

[edit] Description

[edit] Source

Cassytha filiformis

[edit] Function

Anticancer

[edit] General Properties

*Molecular Weight

339.38504

*Exact Mass

339.147058

*Molecular Formula

C₂₀H₂₁NO₄

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC3=C(C4=C2C1CC5=CC(=C(C=C54)OC)OC)OCO3

*Isomeric Smiles

CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC(=C(C=C54)OC)OC)OCO3

*XLogP

3.2

*Hydrogen bond donor

0

*Hydrogen bond acceptor

5

*Rotational Bond Count

2

*Topological Polar Surface Area

40.2

[edit] External Links

• Pubchem

Link to BIAdb Database