BIAdb Dihydrothebacone 2036

From DrugPedia: A Wikipedia for Drug discovery

Show 3-D Structure

Show 2-D Structure

BIAdb Dihydrothebacone 2036
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	5463874
Chemical data
Formula	C20H25NO4
Mol. mass	343.4168
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

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

343.4168

*Exact Mass

343.178358

*Molecular Formula

C₂₀H₂₅NO₄

*IUPAC NAME

N/A

*Canonical Smiles

CC(=O)OC1CCC2C3CC4=C5C2(C1OC5=C(C=C4)OC)CCN3C

*Isomeric Smiles

CC(=O)O[C@H]1CC[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC)CCN3C

*XLogP

2.7

*Hydrogen bond donor

0

*Hydrogen bond acceptor

5

*Rotational Bond Count

3

*Topological Polar Surface Area

48

[edit] External Links

• Pubchem

Link to BIAdb Database