BIAdb Polycarpine 2942

BIAdb Polycarpine 2942
Systematic (IUPAC) name
(1Z)-1-[(2-hydroxy-3,4-dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydroisoquinoline-2-carbaldehyde
Identifiers
CAS number	?
ATC code	?
PubChem	5281513
Chemical data
Formula	C₂₁H₂₃NO₆
Mol. mass	385.41042
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Enantia polycarpa

Anticancer

*Molecular Weight

385.41042

*Exact Mass

385.152537

*Molecular Formula

C₂₁H₂₃NO₆

*IUPAC NAME

(1Z)-1-[(2-hydroxy-3,4-dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydroisoquinoline-2-carbaldehyde

*Canonical Smiles

COC1=C(C(=C(C=C1)C=C2C3=CC(=C(C=C3CCN2C=O)OC)OC)O)OC

*Isomeric Smiles

COC1=C(C(=C(C=C1)/C=C2/C3=CC(=C(C=C3CCN2C=O)OC)OC)O)OC

*XLogP

2.9

*Hydrogen bond donor

1

*Hydrogen bond acceptor

6

*Rotational Bond Count

5

*Topological Polar Surface Area

77.5