BIAdb Tetrahydropalmatine 3329

BIAdb Tetrahydropalmatine 3329
Systematic (IUPAC) name
(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Identifiers
CAS number	?
ATC code	?
PubChem	72301
Chemical data
Formula	C₂₁H₂₅NO₄
Mol. mass	355.4275
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Stephania venosa

Cytotoxic

*Molecular Weight

355.4275

*Exact Mass

355.178358

*Molecular Formula

C₂₁H₂₅NO₄

*IUPAC NAME

(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline

*Canonical Smiles

COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC

*Isomeric Smiles

COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC

*XLogP

3.2

*Hydrogen bond donor

0

*Hydrogen bond acceptor

5

*Rotational Bond Count

4

*Topological Polar Surface Area

40.2